(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine

C13H15ClN2 — CID 84741102

IUPAC(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
SMILESNCC1CCCc2[nH]c3cc(Cl)ccc3c21
InChIInChI=1S/C13H15ClN2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h4-6,8,16H,1-3,7,15H2
InChIKeyMIOIHMQCEPHIDN-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.20
Rot. Bonds1

About (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine

(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine (PubChem CID 84741102) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
PubChem CID84741102
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
SMILESNCC1CCCc2[nH]c3cc(Cl)ccc3c21
InChIInChI=1S/C13H15ClN2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h4-6,8,16H,1-3,7,15H2
InChIKeyMIOIHMQCEPHIDN-UHFFFAOYSA-N
XLogP3.20
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.20
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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Related Compounds

1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84740967
6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 123308396
N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
CID 3056093
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
CID 69235228
5-methyl-6,7,8,9-tetrahydro-5H-carbazol-2-ol
CID 19384572
2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
CID 84742964
(7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84626254
(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol
CID 146387814
N,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84740064
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84742733

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The IUPAC name of (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine (CID 84741102) is (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine.
What is the SMILES notation for (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The canonical SMILES for (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine is NCC1CCCc2[nH]c3cc(Cl)ccc3c21.
What is the InChIKey of (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The InChIKey is MIOIHMQCEPHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h4-6,8,16H,1-3,7,15H2.
What are the key properties of (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine has a molecular weight of 234.73 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine is sourced from PubChem (CID 84741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).