N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride

C16H20ClN — CID 15945718

IUPACN-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
SMILESCc1ccc(CNC(C)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19N.ClH/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16;/h3-11,14,17H,12H2,1-2H3;1H
InChIKeyRTGWEWZOEKWPRA-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.27
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride

N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride (PubChem CID 15945718) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
PubChem CID15945718
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
SMILESCc1ccc(CNC(C)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19N.ClH/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16;/h3-11,14,17H,12H2,1-2H3;1H
InChIKeyRTGWEWZOEKWPRA-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride (CID 15945718) is N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride is Cc1ccc(CNC(C)c2ccccc2)cc1.Cl.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride?
The InChIKey is RTGWEWZOEKWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.ClH/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16;/h3-11,14,17H,12H2,1-2H3;1H.
What are the key properties of N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride?
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 15945718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).