N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine

C17H20ClN — CID 66160680

IUPACN-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)19-11-15-10-16(18)8-9-17(15)14-6-4-13(3)5-7-14/h4-10,12,19H,11H2,1-3H3
InChIKeyGUYFFEPRKQXIMU-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.81
Rot. Bonds4

About N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 66160680) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID66160680
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)19-11-15-10-16(18)8-9-17(15)14-6-4-13(3)5-7-14/h4-10,12,19H,11H2,1-3H3
InChIKeyGUYFFEPRKQXIMU-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 66159713
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
CID 66160704
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine (CID 66160680) is N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine is Cc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1.
What is the InChIKey of N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is GUYFFEPRKQXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12(2)19-11-15-10-16(18)8-9-17(15)14-6-4-13(3)5-7-14/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66160680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).