5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline

C18H20ClNO — CID 43755230

IUPAC5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(C(Nc2cc(Cl)ccc2C)C2CC2)cc1
InChIInChI=1S/C18H20ClNO/c1-12-3-8-15(19)11-17(12)20-18(13-4-5-13)14-6-9-16(21-2)10-7-14/h3,6-11,13,18,20H,4-5H2,1-2H3
InChIKeyCSDXVLGWXHAJRB-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.22
Rot. Bonds5

About 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline

5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 43755230) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
PubChem CID43755230
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(C(Nc2cc(Cl)ccc2C)C2CC2)cc1
InChIInChI=1S/C18H20ClNO/c1-12-3-8-15(19)11-17(12)20-18(13-4-5-13)14-6-9-16(21-2)10-7-14/h3,6-11,13,18,20H,4-5H2,1-2H3
InChIKeyCSDXVLGWXHAJRB-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline 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

2-bromo-5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 81267879
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline (CID 43755230) is 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline is COc1ccc(C(Nc2cc(Cl)ccc2C)C2CC2)cc1.
What is the InChIKey of 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is CSDXVLGWXHAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-3-8-15(19)11-17(12)20-18(13-4-5-13)14-6-9-16(21-2)10-7-14/h3,6-11,13,18,20H,4-5H2,1-2H3.
What are the key properties of 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline?
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 301.82 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43755230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).