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

C19H24ClN — CID 105050433

IUPACN-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C19H24ClN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-10-11-18(20)14(3)12-17/h6,8-13,19,21H,4-5,7H2,1-3H3
InChIKeyVOBLLNJMUCUXGV-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.30
Rot. Bonds6

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

N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 105050433) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID105050433
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C19H24ClN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-10-11-18(20)14(3)12-17/h6,8-13,19,21H,4-5,7H2,1-3H3
InChIKeyVOBLLNJMUCUXGV-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine (CID 105050433) is N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is VOBLLNJMUCUXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-10-11-18(20)14(3)12-17/h6,8-13,19,21H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 105050433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).