[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride

C15H14Cl2N2 — CID 13324728

IUPAC[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2ccc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H13ClN2.ClH/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17;/h1-9H,10,17H2;1H
InChIKeyXXUSHFJMTZXHHA-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.16
Rot. Bonds2

About [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride

[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 13324728) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride
PubChem CID13324728
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2ccc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H13ClN2.ClH/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17;/h1-9H,10,17H2;1H
InChIKeyXXUSHFJMTZXHHA-UHFFFAOYSA-N
XLogP4.16
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 77379
5-Chloroindole
CID 87110
5-Chloro-alphamt
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CID 182029
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
Dorastine
CID 30530
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
2-(1H-indol-1-yl)ethanamine
CID 258690
2-(4-Chlorophenyl)indolizine
CID 346941
Tepirindole
CID 68915
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride (CID 13324728) is [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(-n2ccc3cc(Cl)ccc32)c1.
What is the InChIKey of [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is XXUSHFJMTZXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2.ClH/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17;/h1-9H,10,17H2;1H.
What are the key properties of [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride?
[3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride has a molecular weight of 293.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloroindol-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 13324728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).