3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine

C14H19ClN2O — CID 96678727

IUPAC3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)[nH]c2c(Cl)ccc(OC)c12
InChIInChI=1S/C14H19ClN2O/c1-9-10(5-4-8-16-2)13-12(18-3)7-6-11(15)14(13)17-9/h6-7,16-17H,4-5,8H2,1-3H3
InChIKeyDSKQQEWCSNRBHU-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.29
Rot. Bonds5

About 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine

3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine (PubChem CID 96678727) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
PubChem CID96678727
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)[nH]c2c(Cl)ccc(OC)c12
InChIInChI=1S/C14H19ClN2O/c1-9-10(5-4-8-16-2)13-12(18-3)7-6-11(15)14(13)17-9/h6-7,16-17H,4-5,8H2,1-3H3
InChIKeyDSKQQEWCSNRBHU-UHFFFAOYSA-N
XLogP3.29
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine
CID 84629253
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine (CID 96678727) is 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine is CNCCCc1c(C)[nH]c2c(Cl)ccc(OC)c12.
What is the InChIKey of 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The InChIKey is DSKQQEWCSNRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-10(5-4-8-16-2)13-12(18-3)7-6-11(15)14(13)17-9/h6-7,16-17H,4-5,8H2,1-3H3.
What are the key properties of 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine?
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 96678727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).