N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine

C14H19ClN2O — CID 84640295

IUPACN-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2cc(CNC(C)C)n(C)c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9(2)16-8-11-5-10-6-14(18-4)12(15)7-13(10)17(11)3/h5-7,9,16H,8H2,1-4H3
InChIKeyJNNOXCIKOBKLER-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.34
Rot. Bonds4

About N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine

N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine (PubChem CID 84640295) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
PubChem CID84640295
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2cc(CNC(C)C)n(C)c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9(2)16-8-11-5-10-6-14(18-4)12(15)7-13(10)17(11)3/h5-7,9,16H,8H2,1-4H3
InChIKeyJNNOXCIKOBKLER-UHFFFAOYSA-N
XLogP3.34
TPSA26.19 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
CID 84642929
6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
CID 84639752
N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84640296
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498
N-[(1,6,7-trimethylindol-2-yl)methyl]propan-2-amine
CID 84626388
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
CID 18802200
3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
CID 83944491

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine (CID 84640295) is N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine is COc1cc2cc(CNC(C)C)n(C)c2cc1Cl.
What is the InChIKey of N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine?
The InChIKey is JNNOXCIKOBKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(2)16-8-11-5-10-6-14(18-4)12(15)7-13(10)17(11)3/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine?
N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine has a molecular weight of 266.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 84640295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).