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

C18H22ClNO — CID 43693470

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)cc1)c1ccccc1OC
InChIInChI=1S/C18H22ClNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-13(2)14-9-11-15(19)12-10-14/h5-13,17,20H,4H2,1-3H3
InChIKeyQGUKXCJRRLFRON-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.15
Rot. Bonds6

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

N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 43693470) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID43693470
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)cc1)c1ccccc1OC
InChIInChI=1S/C18H22ClNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-13(2)14-9-11-15(19)12-10-14/h5-13,17,20H,4H2,1-3H3
InChIKeyQGUKXCJRRLFRON-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine (CID 43693470) is N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NC(C)c1ccc(Cl)cc1)c1ccccc1OC.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is QGUKXCJRRLFRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-17(16-7-5-6-8-18(16)21-3)20-13(2)14-9-11-15(19)12-10-14/h5-13,17,20H,4H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).