3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline

C15H23ClN2 — CID 107399886

IUPAC3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
SMILESCCN(CC1CCC1)c1cccc(Cl)c1CNC
InChIInChI=1S/C15H23ClN2/c1-3-18(11-12-6-4-7-12)15-9-5-8-14(16)13(15)10-17-2/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3
InChIKeyAHBGLSABFLJERS-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.69
Rot. Bonds6

About 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline

3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline (PubChem CID 107399886) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
PubChem CID107399886
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
SMILESCCN(CC1CCC1)c1cccc(Cl)c1CNC
InChIInChI=1S/C15H23ClN2/c1-3-18(11-12-6-4-7-12)15-9-5-8-14(16)13(15)10-17-2/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3
InChIKeyAHBGLSABFLJERS-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)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

N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065675
3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 43569413
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 61445051
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
CID 43280695
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
CID 107399750
3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline?
The IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline (CID 107399886) is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline is CCN(CC1CCC1)c1cccc(Cl)c1CNC.
What is the InChIKey of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline?
The InChIKey is AHBGLSABFLJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-18(11-12-6-4-7-12)15-9-5-8-14(16)13(15)10-17-2/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline?
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline has a molecular weight of 266.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 107399886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).