N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine

C15H21ClN2 — CID 113229466

IUPACN-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2/c1-11(2)9-17-10-12(3)18-7-6-13-4-5-14(16)8-15(13)18/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyHTMYZOUTHVCCFU-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine

N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 113229466) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID113229466
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2/c1-11(2)9-17-10-12(3)18-7-6-13-4-5-14(16)8-15(13)18/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyHTMYZOUTHVCCFU-UHFFFAOYSA-N
XLogP4.10
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine 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

2-(6-chloroindol-1-yl)-N-prop-2-enylpropan-1-amine
CID 113229465
N-[2-(5-fluoroindol-1-yl)propyl]-2-methylpropan-1-amine
CID 113233661
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
1-pentan-2-ylindol-6-amine
CID 165482148
6-chloro-1-(4,4-dimethylpent-2-ynyl)indole
CID 114190429
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 115472958
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
3-N-[1-(4-chlorophenyl)ethyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012189
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine (CID 113229466) is N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)n1ccc2ccc(Cl)cc21.
What is the InChIKey of N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is HTMYZOUTHVCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-11(2)9-17-10-12(3)18-7-6-13-4-5-14(16)8-15(13)18/h4-8,11-12,17H,9-10H2,1-3H3.
What are the key properties of N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113229466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).