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

C18H22ClNO — CID 82771994

IUPACN-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccccc2OC)cc1Cl
InChIInChI=1S/C18H22ClNO/c1-4-11-20-13(2)15-10-9-14(12-17(15)19)16-7-5-6-8-18(16)21-3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyXUUAZPNDMPZPJY-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.08
Rot. Bonds6

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

N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 82771994) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
PubChem CID82771994
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccccc2OC)cc1Cl
InChIInChI=1S/C18H22ClNO/c1-4-11-20-13(2)15-10-9-14(12-17(15)19)16-7-5-6-8-18(16)21-3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyXUUAZPNDMPZPJY-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
CID 106646413
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-chloro-4-(2-methylthiophen-3-yl)phenyl]ethyl]propan-1-amine
CID 102834411
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine (CID 82771994) is N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccccc2OC)cc1Cl.
What is the InChIKey of N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is XUUAZPNDMPZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-11-20-13(2)15-10-9-14(12-17(15)19)16-7-5-6-8-18(16)21-3/h5-10,12-13,20H,4,11H2,1-3H3.
What are the key properties of N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82771994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).