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

C18H22ClN — CID 115801024

IUPACN-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1CC
InChIInChI=1S/C18H22ClN/c1-3-13-20-18(16-11-7-8-12-17(16)19)15-10-6-5-9-14(15)4-2/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyVUEXTSXXZXODEF-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.99
Rot. Bonds6

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

N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine (PubChem CID 115801024) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
PubChem CID115801024
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1CC
InChIInChI=1S/C18H22ClN/c1-3-13-20-18(16-11-7-8-12-17(16)19)15-10-6-5-9-14(15)4-2/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyVUEXTSXXZXODEF-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791800
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 106762425
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine (CID 115801024) is N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccccc1CC.
What is the InChIKey of N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine?
The InChIKey is VUEXTSXXZXODEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-13-20-18(16-11-7-8-12-17(16)19)15-10-6-5-9-14(15)4-2/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115801024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).