4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

C13H21ClN2O — CID 81052956

IUPAC4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(CN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-10(2)17-7-6-16(3)13-5-4-11(9-15)8-12(13)14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyNJSYIJDRAQGHLJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.66
Rot. Bonds6

About 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 81052956) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID81052956
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(CN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-10(2)17-7-6-16(3)13-5-4-11(9-15)8-12(13)14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyNJSYIJDRAQGHLJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)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

4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 81052953
3-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055954
2-(bromomethyl)-4-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 107084775
2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 113334402
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)aniline
CID 81052636
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
[3-bromo-4-[methyl(2-propan-2-yloxyethyl)amino]phenyl]methanol
CID 114062387
4-chloro-5-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 114089060
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
5-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81056708
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
2-bromo-1-N-methyl-1-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 81059262

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 81052956) is 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCN(C)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is NJSYIJDRAQGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(2)17-7-6-16(3)13-5-4-11(9-15)8-12(13)14/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 256.78 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 81052956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).