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

C18H22ClN — CID 63496346

IUPAC2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(CC(CN)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-2-14-7-9-15(10-8-14)11-16(13-20)12-17-5-3-4-6-18(17)19/h3-10,16H,2,11-13,20H2,1H3
InChIKeyLKSWHQQXGHSWHS-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.26
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine (PubChem CID 63496346) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
PubChem CID63496346
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(CC(CN)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-2-14-7-9-15(10-8-14)11-16(13-20)12-17-5-3-4-6-18(17)19/h3-10,16H,2,11-13,20H2,1H3
InChIKeyLKSWHQQXGHSWHS-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 62528407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine (CID 63496346) is 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine is CCc1ccc(CC(CN)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine?
The InChIKey is LKSWHQQXGHSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-2-14-7-9-15(10-8-14)11-16(13-20)12-17-5-3-4-6-18(17)19/h3-10,16H,2,11-13,20H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine?
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 63496346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).