N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline

C17H20ClNO — CID 43693690

IUPACN-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-17-6-4-5-16(12-17)19-13(2)14-7-9-15(18)10-8-14/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyBLUCWXJBDDNTIC-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.30
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline

N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline (PubChem CID 43693690) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
PubChem CID43693690
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-17-6-4-5-16(12-17)19-13(2)14-7-9-15(18)10-8-14/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyBLUCWXJBDDNTIC-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline 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

N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
2-[1-(3-propoxyanilino)ethyl]benzene-1,4-diol
CID 43693728
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-heptan-2-yl-3-propoxyaniline
CID 43693607

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline (CID 43693690) is N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline is CCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline?
The InChIKey is BLUCWXJBDDNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-11-20-17-6-4-5-16(12-17)19-13(2)14-7-9-15(18)10-8-14/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline?
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline has a molecular weight of 289.81 g/mol, XLogP of 5.30, 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]-3-propoxyaniline is sourced from PubChem (CID 43693690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).