1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride

C11H14Cl2N2 — CID 170893856

IUPAC1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1[nH]c2ccccc2c1Cl.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-7(13)6-10-11(12)8-4-2-3-5-9(8)14-10;/h2-5,7,14H,6,13H2,1H3;1H
InChIKeyDAOBWUBLNWPEJT-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.13
Rot. Bonds2

About 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride

1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride (PubChem CID 170893856) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
PubChem CID170893856
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1[nH]c2ccccc2c1Cl.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-7(13)6-10-11(12)8-4-2-3-5-9(8)14-10;/h2-5,7,14H,6,13H2,1H3;1H
InChIKeyDAOBWUBLNWPEJT-UHFFFAOYSA-N
XLogP3.13
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282142
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
CID 106156934
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407475
3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
CID 82511748
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
CID 64550785

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride (CID 170893856) is 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride is CC(N)Cc1[nH]c2ccccc2c1Cl.Cl.
What is the InChIKey of 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride?
The InChIKey is DAOBWUBLNWPEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.ClH/c1-7(13)6-10-11(12)8-4-2-3-5-9(8)14-10;/h2-5,7,14H,6,13H2,1H3;1H.
What are the key properties of 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride?
1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride has a molecular weight of 245.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).