N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine

C18H22ClN — CID 57156795

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-14-6-3-4-8-17(14)12-15(2)20-11-10-16-7-5-9-18(19)13-16/h3-9,13,15,20H,10-12H2,1-2H3
InChIKeyZUWPHKPTHOHKLB-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine

N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 57156795) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID57156795
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-14-6-3-4-8-17(14)12-15(2)20-11-10-16-7-5-9-18(19)13-16/h3-9,13,15,20H,10-12H2,1-2H3
InChIKeyZUWPHKPTHOHKLB-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 63016247
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43694732
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
[4-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]benzoyl]piperazin-1-yl]-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenyl]methanone
CID 44533762

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (CID 57156795) is N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is ZUWPHKPTHOHKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14-6-3-4-8-17(14)12-15(2)20-11-10-16-7-5-9-18(19)13-16/h3-9,13,15,20H,10-12H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 57156795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).