1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine

C21H20ClN3 — CID 171793556

IUPAC1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
SMILESCc1ccc(Nc2cc(CCN)c3[nH]c4ccccc4c3c2)c(Cl)c1
InChIInChI=1S/C21H20ClN3/c1-13-6-7-20(18(22)10-13)24-15-11-14(8-9-23)21-17(12-15)16-4-2-3-5-19(16)25-21/h2-7,10-12,24-25H,8-9,23H2,1H3
InChIKeyRWGOOTLFKPKQJZ-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.53
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine

1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine (PubChem CID 171793556) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
PubChem CID171793556
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
SMILESCc1ccc(Nc2cc(CCN)c3[nH]c4ccccc4c3c2)c(Cl)c1
InChIInChI=1S/C21H20ClN3/c1-13-6-7-20(18(22)10-13)24-15-11-14(8-9-23)21-17(12-15)16-4-2-3-5-19(16)25-21/h2-7,10-12,24-25H,8-9,23H2,1H3
InChIKeyRWGOOTLFKPKQJZ-UHFFFAOYSA-N
XLogP5.53
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine 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-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine
CID 174337546
N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
CID 156868408
N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
CID 174338579
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
6,7-dichloro-N-(4-chlorophenyl)-1-[2-(4-methylanilino)ethyl]-9H-carbazol-3-amine;methanamine;methanimine
CID 171793962
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 5185005
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine (CID 171793556) is 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine is Cc1ccc(Nc2cc(CCN)c3[nH]c4ccccc4c3c2)c(Cl)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine?
The InChIKey is RWGOOTLFKPKQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c1-13-6-7-20(18(22)10-13)24-15-11-14(8-9-23)21-17(12-15)16-4-2-3-5-19(16)25-21/h2-7,10-12,24-25H,8-9,23H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine?
1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine has a molecular weight of 349.87 g/mol, XLogP of 5.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 171793556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).