1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine

C25H25F3N2 — CID 163236000

IUPAC1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2c(Cc3ccccc3)cccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C25H25F3N2/c1-29-16-19-15-23-20(14-18-6-3-2-4-7-18)8-5-9-24(23)30(17-19)22-12-10-21(11-13-22)25(26,27)28/h2-13,19,29H,14-17H2,1H3
InChIKeyBNXURMFUODIHQB-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.83
Rot. Bonds5

About 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine

1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine (PubChem CID 163236000) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine
PubChem CID163236000
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC Name1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2c(Cc3ccccc3)cccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C25H25F3N2/c1-29-16-19-15-23-20(14-18-6-3-2-4-7-18)8-5-9-24(23)30(17-19)22-12-10-21(11-13-22)25(26,27)28/h2-13,19,29H,14-17H2,1H3
InChIKeyBNXURMFUODIHQB-UHFFFAOYSA-N
XLogP5.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235976
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 163235914
2-[(3R)-3-(prop-2-enoylamino)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]acetic acid
CID 175994010
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
CID 163282297
N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235786
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-6-yl]methyl]carbamate
CID 169043710
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
CID 163236033
2-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]acetonitrile
CID 175939167
[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
CID 172543042
N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide
CID 172543228

Frequently Asked Questions

What is the IUPAC name of 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine (CID 163236000) is 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine is CNCC1Cc2c(Cc3ccccc3)cccc2N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine?
The InChIKey is BNXURMFUODIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2/c1-29-16-19-15-23-20(14-18-6-3-2-4-7-18)8-5-9-24(23)30(17-19)22-12-10-21(11-13-22)25(26,27)28/h2-13,19,29H,14-17H2,1H3.
What are the key properties of 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine?
1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine has a molecular weight of 410.48 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 163236000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).