N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

C19H24ClN — CID 43625480

IUPACN-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-4-12-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyJUPJUQRUWSXANC-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.55
Rot. Bonds6

About N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 43625480) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID43625480
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-4-12-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyJUPJUQRUWSXANC-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 43625480) is N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is JUPJUQRUWSXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-12-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).