N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline

C18H20ClNO — CID 43678042

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClNO/c1-21-12-14-5-2-3-8-18(14)20-17-10-15(11-17)13-6-4-7-16(19)9-13/h2-9,15,17,20H,10-12H2,1H3
InChIKeyDVNBFZYIOCJVTD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.84
Rot. Bonds5

About N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline

N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline (PubChem CID 43678042) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline
PubChem CID43678042
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClNO/c1-21-12-14-5-2-3-8-18(14)20-17-10-15(11-17)13-6-4-7-16(19)9-13/h2-9,15,17,20H,10-12H2,1H3
InChIKeyDVNBFZYIOCJVTD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)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

5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79756518
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441
2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633015
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
CID 107597455
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline (CID 43678042) is N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline is COCc1ccccc1NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline?
The InChIKey is DVNBFZYIOCJVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-12-14-5-2-3-8-18(14)20-17-10-15(11-17)13-6-4-7-16(19)9-13/h2-9,15,17,20H,10-12H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline?
N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline has a molecular weight of 301.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 43678042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).