N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine

C13H18ClNO — CID 115335523

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3
InChIKeyJLYAPNYTDCWISV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine

N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115335523) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
PubChem CID115335523
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3
InChIKeyJLYAPNYTDCWISV-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-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

N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103247072
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 75431964
(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 97326442
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine (CID 115335523) is N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine is CC1OCCC1NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is JLYAPNYTDCWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 239.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).