[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine

C16H15ClN2 — CID 55119869

IUPAC[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2cc(Cl)c3ccccc32)c1
InChIInChI=1S/C16H15ClN2/c17-15-11-19(16-7-2-1-6-14(15)16)10-13-5-3-4-12(8-13)9-18/h1-8,11H,9-10,18H2
InChIKeyXTCIYTUSHMFMBD-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.80
Rot. Bonds3

About [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine

[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine (PubChem CID 55119869) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine
PubChem CID55119869
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2cc(Cl)c3ccccc32)c1
InChIInChI=1S/C16H15ClN2/c17-15-11-19(16-7-2-1-6-14(15)16)10-13-5-3-4-12(8-13)9-18/h1-8,11H,9-10,18H2
InChIKeyXTCIYTUSHMFMBD-UHFFFAOYSA-N
XLogP3.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine (CID 55119869) is [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine is NCc1cccc(Cn2cc(Cl)c3ccccc32)c1.
What is the InChIKey of [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is XTCIYTUSHMFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-15-11-19(16-7-2-1-6-14(15)16)10-13-5-3-4-12(8-13)9-18/h1-8,11H,9-10,18H2.
What are the key properties of [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine?
[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 270.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 55119869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).