N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine

C18H22N2 — CID 125427447

IUPACN-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine
SMILESCN1CC[C@H](CNCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H22N2/c1-20-12-11-16(17-9-5-6-10-18(17)20)14-19-13-15-7-3-2-4-8-15/h2-10,16,19H,11-14H2,1H3/t16-/m1/s1
InChIKeyXQOXNGYVGOWWHT-MRXNPFEDSA-N
MW266.39 g/mol
LogP3.40
Rot. Bonds4

About N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine

N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine (PubChem CID 125427447) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine
PubChem CID125427447
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine
SMILESCN1CC[C@H](CNCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H22N2/c1-20-12-11-16(17-9-5-6-10-18(17)20)14-19-13-15-7-3-2-4-8-15/h2-10,16,19H,11-14H2,1H3/t16-/m1/s1
InChIKeyXQOXNGYVGOWWHT-MRXNPFEDSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine?
The IUPAC name of N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine (CID 125427447) is N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine is CN1CC[C@H](CNCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine?
The InChIKey is XQOXNGYVGOWWHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2/c1-20-12-11-16(17-9-5-6-10-18(17)20)14-19-13-15-7-3-2-4-8-15/h2-10,16,19H,11-14H2,1H3/t16-/m1/s1.
What are the key properties of N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine?
N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine is sourced from PubChem (CID 125427447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).