(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine

C29H30N2 — CID 141392582

IUPAC(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCc1ccccc1N1CC(CN[C@H](C)c2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C29H30N2/c1-21-10-3-7-16-28(21)31-20-23(18-25-12-5-8-17-29(25)31)19-30-22(2)26-15-9-13-24-11-4-6-14-27(24)26/h3-17,22-23,30H,18-20H2,1-2H3/t22-,23?/m1/s1
InChIKeyPEXHUNOVGCESIA-WTQRLHSKSA-N
MW406.57 g/mol
LogP6.81
Rot. Bonds5

About (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 141392582) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID141392582
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCc1ccccc1N1CC(CN[C@H](C)c2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C29H30N2/c1-21-10-3-7-16-28(21)31-20-23(18-25-12-5-8-17-29(25)31)19-30-22(2)26-15-9-13-24-11-4-6-14-27(24)26/h3-17,22-23,30H,18-20H2,1-2H3/t22-,23?/m1/s1
InChIKeyPEXHUNOVGCESIA-WTQRLHSKSA-N
XLogP6.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-4-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-quinolin-1-yl]benzoate
CID 118333106
5-[6-fluoro-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylbenzoic acid;hydrochloride
CID 73295335
methyl 2-[2-methyl-5-[3-[3-(1-naphthalen-1-ylethylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]phenoxy]acetate
CID 123862644
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 121458586
2,3-dimethyl-5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzoic acid;hydrochloride
CID 73295668
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
CID 130385065
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide
CID 77489021
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 163235914

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine (CID 141392582) is (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine is Cc1ccccc1N1CC(CN[C@H](C)c2cccc3ccccc23)Cc2ccccc21.
What is the InChIKey of (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is PEXHUNOVGCESIA-WTQRLHSKSA-N. The full InChI is InChI=1S/C29H30N2/c1-21-10-3-7-16-28(21)31-20-23(18-25-12-5-8-17-29(25)31)19-30-22(2)26-15-9-13-24-11-4-6-14-27(24)26/h3-17,22-23,30H,18-20H2,1-2H3/t22-,23?/m1/s1.
What are the key properties of (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 406.57 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 141392582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).