N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine

C22H22ClN3 — CID 156868408

IUPACN-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
SMILESCN(C)CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C22H22ClN3/c1-26(2)12-11-15-13-18(24-17-9-7-16(23)8-10-17)14-20-19-5-3-4-6-21(19)25-22(15)20/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyPNQMWIHCJOCDQM-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.82
Rot. Bonds5

About N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine

N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine (PubChem CID 156868408) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
PubChem CID156868408
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC NameN-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
SMILESCN(C)CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C22H22ClN3/c1-26(2)12-11-15-13-18(24-17-9-7-16(23)8-10-17)14-20-19-5-3-4-6-21(19)25-22(15)20/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyPNQMWIHCJOCDQM-UHFFFAOYSA-N
XLogP5.82
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
CID 171793556
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
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
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine
CID 171794075
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
CID 54239513

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine (CID 156868408) is N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine is CN(C)CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine?
The InChIKey is PNQMWIHCJOCDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c1-26(2)12-11-15-13-18(24-17-9-7-16(23)8-10-17)14-20-19-5-3-4-6-21(19)25-22(15)20/h3-10,13-14,24-25H,11-12H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine?
N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine has a molecular weight of 363.89 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine is sourced from PubChem (CID 156868408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).