2-chloro-9-propan-2-ylcarbazol-3-amine

C15H15ClN2 — CID 10967194

IUPAC2-chloro-9-propan-2-ylcarbazol-3-amine
SMILESCC(C)n1c2ccccc2c2cc(N)c(Cl)cc21
InChIInChI=1S/C15H15ClN2/c1-9(2)18-14-6-4-3-5-10(14)11-7-13(17)12(16)8-15(11)18/h3-9H,17H2,1-2H3
InChIKeyPHKUFUUBFXANEW-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.61
Rot. Bonds1

About 2-chloro-9-propan-2-ylcarbazol-3-amine

2-chloro-9-propan-2-ylcarbazol-3-amine (PubChem CID 10967194) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-9-propan-2-ylcarbazol-3-amine.

Molecular Properties

Compound Name2-chloro-9-propan-2-ylcarbazol-3-amine
PubChem CID10967194
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-9-propan-2-ylcarbazol-3-amine
SMILESCC(C)n1c2ccccc2c2cc(N)c(Cl)cc21
InChIInChI=1S/C15H15ClN2/c1-9(2)18-14-6-4-3-5-10(14)11-7-13(17)12(16)8-15(11)18/h3-9H,17H2,1-2H3
InChIKeyPHKUFUUBFXANEW-UHFFFAOYSA-N
XLogP4.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-9-ethylcarbazole
CID 8588
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
(9-Ethyl-9H-carbazol-3-yl)ammonium chloride
CID 22487
2-chloro-9H-carbazole
CID 2752388
5-Chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 21512050
{2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-ethyl}-ethyl-methyl-amine
CID 44324056
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 201180
6-chloro-2-phenyl-1H-indole
CID 10609364
9-Ethyl-3-isothiocyanato-9H-carbazole
CID 5018372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-propan-2-ylcarbazol-3-amine?
The IUPAC name of 2-chloro-9-propan-2-ylcarbazol-3-amine (CID 10967194) is 2-chloro-9-propan-2-ylcarbazol-3-amine.
What is the SMILES notation for 2-chloro-9-propan-2-ylcarbazol-3-amine?
The canonical SMILES for 2-chloro-9-propan-2-ylcarbazol-3-amine is CC(C)n1c2ccccc2c2cc(N)c(Cl)cc21.
What is the InChIKey of 2-chloro-9-propan-2-ylcarbazol-3-amine?
The InChIKey is PHKUFUUBFXANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-9(2)18-14-6-4-3-5-10(14)11-7-13(17)12(16)8-15(11)18/h3-9H,17H2,1-2H3.
What are the key properties of 2-chloro-9-propan-2-ylcarbazol-3-amine?
2-chloro-9-propan-2-ylcarbazol-3-amine has a molecular weight of 258.75 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-propan-2-ylcarbazol-3-amine is sourced from PubChem (CID 10967194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).