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

C19H24ClN — CID 63508480

IUPACN-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7-13,19,21H,4-6H2,1-3H3
InChIKeyPXXHVFIKJJGGQN-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.30
Rot. Bonds6

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

N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine (PubChem CID 63508480) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
PubChem CID63508480
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7-13,19,21H,4-6H2,1-3H3
InChIKeyPXXHVFIKJJGGQN-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-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107561865
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine (CID 63508480) is N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine is CCCc1ccc(C(NCC)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine?
The InChIKey is PXXHVFIKJJGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7-13,19,21H,4-6H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(4-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-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 63508480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).