6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C20H21ClN2 — CID 15633401

IUPAC6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESClc1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1
InChIInChI=1S/C20H21ClN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2
InChIKeyZXVBWEFDUZKYEO-UHFFFAOYSA-N
MW324.85 g/mol
LogP5.03
Rot. Bonds4

About 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 15633401) has the molecular formula C20H21ClN2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID15633401
Molecular FormulaC20H21ClN2
Molecular Weight324.85 g/mol
Exact Mass324.14
IUPAC Name6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESClc1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1
InChIInChI=1S/C20H21ClN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2
InChIKeyZXVBWEFDUZKYEO-UHFFFAOYSA-N
XLogP5.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.85
LogP ≤ 55.03
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 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 15633401) is 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Clc1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is ZXVBWEFDUZKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2.
What are the key properties of 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 324.85 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 15633401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).