N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine

C17H20ClN — CID 106816930

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccc(CNCCc2ccccc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-13-5-3-4-6-16(13)9-10-19-12-15-8-7-14(2)17(18)11-15/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyYRLVRYWTXKYITP-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.29
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine

N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 106816930) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID106816930
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccc(CNCCc2ccccc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-13-5-3-4-6-16(13)9-10-19-12-15-8-7-14(2)17(18)11-15/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyYRLVRYWTXKYITP-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
CID 79032661
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine (CID 106816930) is N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccc(CNCCc2ccccc2C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is YRLVRYWTXKYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-5-3-4-6-16(13)9-10-19-12-15-8-7-14(2)17(18)11-15/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106816930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).