3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine

C14H19ClN2O — CID 82501761

IUPAC3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
SMILESCOc1cc2c(C)c(C)n(CCCN)c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-10(2)17(6-4-5-16)13-8-12(15)14(18-3)7-11(9)13/h7-8H,4-6,16H2,1-3H3
InChIKeyYLNUBBWDERGOIO-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.27
Rot. Bonds4

About 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine

3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine (PubChem CID 82501761) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
PubChem CID82501761
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
SMILESCOc1cc2c(C)c(C)n(CCCN)c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-10(2)17(6-4-5-16)13-8-12(15)14(18-3)7-11(9)13/h7-8H,4-6,16H2,1-3H3
InChIKeyYLNUBBWDERGOIO-UHFFFAOYSA-N
XLogP3.27
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498
3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
CID 82496941
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
(E)-3-(6-chloro-5-methoxy-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 98035169
5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84743751

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine (CID 82501761) is 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine is COc1cc2c(C)c(C)n(CCCN)c2cc1Cl.
What is the InChIKey of 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine?
The InChIKey is YLNUBBWDERGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-10(2)17(6-4-5-16)13-8-12(15)14(18-3)7-11(9)13/h7-8H,4-6,16H2,1-3H3.
What are the key properties of 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine?
3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine is sourced from PubChem (CID 82501761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).