N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

C18H22ClNO — CID 43767012

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-14(13-16-5-3-4-6-18(16)21-2)20-12-11-15-7-9-17(19)10-8-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyNAFGLJCAMMWZNC-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 43767012) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID43767012
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-14(13-16-5-3-4-6-18(16)21-2)20-12-11-15-7-9-17(19)10-8-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyNAFGLJCAMMWZNC-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (CID 43767012) is N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is NAFGLJCAMMWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-14(13-16-5-3-4-6-18(16)21-2)20-12-11-15-7-9-17(19)10-8-15/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 43767012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).