N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine

C19H24ClN — CID 115484151

IUPACN-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-4-10-21-19(13-16-8-6-5-7-9-16)17-11-14(2)15(3)12-18(17)20/h5-9,11-12,19,21H,4,10,13H2,1-3H3
InChIKeySSXMUSHMDATYIW-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.24
Rot. Bonds6

About N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine

N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine (PubChem CID 115484151) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
PubChem CID115484151
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-4-10-21-19(13-16-8-6-5-7-9-16)17-11-14(2)15(3)12-18(17)20/h5-9,11-12,19,21H,4,10,13H2,1-3H3
InChIKeySSXMUSHMDATYIW-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
N-[(2-bromophenyl)-(2-chloro-4,5-dimethylphenyl)methyl]propan-1-amine
CID 115484144
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine (CID 115484151) is N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1cc(C)c(C)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is SSXMUSHMDATYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-10-21-19(13-16-8-6-5-7-9-16)17-11-14(2)15(3)12-18(17)20/h5-9,11-12,19,21H,4,10,13H2,1-3H3.
What are the key properties of N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 115484151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).