6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride

C13H17Cl2N3 — CID 141253343

IUPAC6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
SMILESCl.Clc1ccc2cc(NC[C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C13H16ClN3.ClH/c14-11-2-1-10-5-13(17-12(10)6-11)16-8-9-3-4-15-7-9;/h1-2,5-6,9,15-17H,3-4,7-8H2;1H/t9-;/m1./s1
InChIKeyHSYHHLHVAYVGMM-SBSPUUFOSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds3

About 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride

6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride (PubChem CID 141253343) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
PubChem CID141253343
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
SMILESCl.Clc1ccc2cc(NC[C@@H]3CCNC3)[nH]c2c1
InChIInChI=1S/C13H16ClN3.ClH/c14-11-2-1-10-5-13(17-12(10)6-11)16-8-9-3-4-15-7-9;/h1-2,5-6,9,15-17H,3-4,7-8H2;1H/t9-;/m1./s1
InChIKeyHSYHHLHVAYVGMM-SBSPUUFOSA-N
XLogP3.26
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
CID 123386788
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
CID 86273324
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride?
The IUPAC name of 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride (CID 141253343) is 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride is Cl.Clc1ccc2cc(NC[C@@H]3CCNC3)[nH]c2c1.
What is the InChIKey of 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride?
The InChIKey is HSYHHLHVAYVGMM-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H16ClN3.ClH/c14-11-2-1-10-5-13(17-12(10)6-11)16-8-9-3-4-15-7-9;/h1-2,5-6,9,15-17H,3-4,7-8H2;1H/t9-;/m1./s1.
What are the key properties of 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride?
6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride has a molecular weight of 286.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride is sourced from PubChem (CID 141253343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).