3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine

C14H19ClN2 — CID 117120480

IUPAC3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)cc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2/c1-10(2)17-11(5-4-8-16)9-12-13(15)6-3-7-14(12)17/h3,6-7,9-10H,4-5,8,16H2,1-2H3
InChIKeyLWBAZRSWXZWNBG-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.77
Rot. Bonds4

About 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine

3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine (PubChem CID 117120480) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
PubChem CID117120480
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)cc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2/c1-10(2)17-11(5-4-8-16)9-12-13(15)6-3-7-14(12)17/h3,6-7,9-10H,4-5,8,16H2,1-2H3
InChIKeyLWBAZRSWXZWNBG-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-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

3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117120452
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117121603
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine (CID 117120480) is 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine is CC(C)n1c(CCCN)cc2c(Cl)cccc21.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine?
The InChIKey is LWBAZRSWXZWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10(2)17-11(5-4-8-16)9-12-13(15)6-3-7-14(12)17/h3,6-7,9-10H,4-5,8,16H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine?
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine has a molecular weight of 250.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine is sourced from PubChem (CID 117120480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).