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

C17H20ClN — CID 43098857

IUPAC4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyMQYJARQKCOYHMU-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.47
Rot. Bonds5

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

4-chloro-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 43098857) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID43098857
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyMQYJARQKCOYHMU-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-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

4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
N-(1-phenylethyl)-4-propylaniline
CID 43078217
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
4-propyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43769073
N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
CID 166201286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline (CID 43098857) is 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is MQYJARQKCOYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline?
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 273.81 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-propylphenyl)ethyl]aniline is sourced from PubChem (CID 43098857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).