(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

C22H24ClNO — CID 164884131

IUPAC(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESC[C@@H](NC[C@H]1CCc2ccccc2O1)c1cccc2ccccc12.Cl
InChIInChI=1S/C22H23NO.ClH/c1-16(20-11-6-9-17-7-2-4-10-21(17)20)23-15-19-14-13-18-8-3-5-12-22(18)24-19;/h2-12,16,19,23H,13-15H2,1H3;1H/t16-,19-;/m1./s1
InChIKeyDMJHUUHDQITFLG-LJLRIERRSA-N
MW353.89 g/mol
LogP5.31
Rot. Bonds4

About (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (PubChem CID 164884131) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
PubChem CID164884131
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESC[C@@H](NC[C@H]1CCc2ccccc2O1)c1cccc2ccccc12.Cl
InChIInChI=1S/C22H23NO.ClH/c1-16(20-11-6-9-17-7-2-4-10-21(17)20)23-15-19-14-13-18-8-3-5-12-22(18)24-19;/h2-12,16,19,23H,13-15H2,1H3;1H/t16-,19-;/m1./s1
InChIKeyDMJHUUHDQITFLG-LJLRIERRSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320
4-methyl-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid;hydrochloride
CID 66551911
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
CID 130385065
N-[2-[(1-phenylethylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]naphthalene-1-sulfonamide
CID 20637401
4-fluoro-3-[2-[(1-naphthalen-1-ylethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid
CID 123375843
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide
CID 77489021
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 121458586
3-methoxy-4-[(2R,4R)-2-[(1-naphthalen-1-ylethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid;hydrochloride
CID 138677387

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The IUPAC name of (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (CID 164884131) is (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.
What is the SMILES notation for (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The canonical SMILES for (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is C[C@@H](NC[C@H]1CCc2ccccc2O1)c1cccc2ccccc12.Cl.
What is the InChIKey of (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The InChIKey is DMJHUUHDQITFLG-LJLRIERRSA-N. The full InChI is InChI=1S/C22H23NO.ClH/c1-16(20-11-6-9-17-7-2-4-10-21(17)20)23-15-19-14-13-18-8-3-5-12-22(18)24-19;/h2-12,16,19,23H,13-15H2,1H3;1H/t16-,19-;/m1./s1.
What are the key properties of (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is sourced from PubChem (CID 164884131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).