4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline

C18H22ClNO — CID 107621050

IUPAC4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-5-14-6-8-15(9-7-14)13(2)20-16-10-11-17(19)18(12-16)21-3/h6-13,20H,4-5H2,1-3H3
InChIKeyDFKSYOKRZOZVLL-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.47
Rot. Bonds6

About 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline

4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 107621050) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID107621050
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-5-14-6-8-15(9-7-14)13(2)20-16-10-11-17(19)18(12-16)21-3/h6-13,20H,4-5H2,1-3H3
InChIKeyDFKSYOKRZOZVLL-UHFFFAOYSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(3-bromophenyl)ethyl]-4-chloro-3-methoxyaniline
CID 107621052
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline (CID 107621050) is 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2ccc(Cl)c(OC)c2)cc1.
What is the InChIKey of 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is DFKSYOKRZOZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-5-14-6-8-15(9-7-14)13(2)20-16-10-11-17(19)18(12-16)21-3/h6-13,20H,4-5H2,1-3H3.
What are the key properties of 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline?
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 303.83 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline is sourced from PubChem (CID 107621050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).