1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine

C14H22ClNO — CID 43488519

IUPAC1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-6-7-13(16-5-2)11-8-9-14(17-3)12(15)10-11/h8-10,13,16H,4-7H2,1-3H3
InChIKeyAYZUPBYDFTVSBQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.19
Rot. Bonds7

About 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine

1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine (PubChem CID 43488519) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
PubChem CID43488519
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-6-7-13(16-5-2)11-8-9-14(17-3)12(15)10-11/h8-10,13,16H,4-7H2,1-3H3
InChIKeyAYZUPBYDFTVSBQ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine 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

1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
CID 63431280
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine (CID 43488519) is 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine?
The InChIKey is AYZUPBYDFTVSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-7-13(16-5-2)11-8-9-14(17-3)12(15)10-11/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine?
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 43488519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).