4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline

C17H21ClN2S — CID 114849046

IUPAC4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H21ClN2S/c1-2-20(12-16-4-3-9-21-16)17-8-5-14(18)10-13(17)11-19-15-6-7-15/h3-5,8-10,15,19H,2,6-7,11-12H2,1H3
InChIKeyNCJYWYQLYOHQII-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.68
Rot. Bonds7

About 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline

4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 114849046) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID114849046
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H21ClN2S/c1-2-20(12-16-4-3-9-21-16)17-8-5-14(18)10-13(17)11-19-15-6-7-15/h3-5,8-10,15,19H,2,6-7,11-12H2,1H3
InChIKeyNCJYWYQLYOHQII-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)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

1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 114852410
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline (CID 114849046) is 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline is CCN(Cc1cccs1)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NCJYWYQLYOHQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-2-20(12-16-4-3-9-21-16)17-8-5-14(18)10-13(17)11-19-15-6-7-15/h3-5,8-10,15,19H,2,6-7,11-12H2,1H3.
What are the key properties of 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 320.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 114849046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).