N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C18H17ClN2 — CID 65333996

IUPACN-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESClc1ccccc1NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H17ClN2/c19-14-8-2-4-10-16(14)20-17-11-5-7-13-12-6-1-3-9-15(12)21-18(13)17/h1-4,6,8-10,17,20-21H,5,7,11H2
InChIKeyDSCHWDVXXNCJTA-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.31
Rot. Bonds2

About N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333996) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333996
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESClc1ccccc1NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H17ClN2/c19-14-8-2-4-10-16(14)20-17-11-5-7-13-12-6-1-3-9-15(12)21-18(13)17/h1-4,6,8-10,17,20-21H,5,7,11H2
InChIKeyDSCHWDVXXNCJTA-UHFFFAOYSA-N
XLogP5.31
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333996) is N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Clc1ccccc1NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is DSCHWDVXXNCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c19-14-8-2-4-10-16(14)20-17-11-5-7-13-12-6-1-3-9-15(12)21-18(13)17/h1-4,6,8-10,17,20-21H,5,7,11H2.
What are the key properties of N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 296.80 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).