[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine

C16H17ClN2 — CID 13324736

IUPAC[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(CN2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H17ClN2/c17-15-4-5-16-14(9-15)6-7-19(16)11-13-3-1-2-12(8-13)10-18/h1-5,8-9H,6-7,10-11,18H2
InChIKeyLJTCNLCJXKKDQB-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.36
Rot. Bonds3

About [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine

[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine (PubChem CID 13324736) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
PubChem CID13324736
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(CN2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H17ClN2/c17-15-4-5-16-14(9-15)6-7-19(16)11-13-3-1-2-12(8-13)10-18/h1-5,8-9H,6-7,10-11,18H2
InChIKeyLJTCNLCJXKKDQB-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine (CID 13324736) is [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine is NCc1cccc(CN2CCc3cc(Cl)ccc32)c1.
What is the InChIKey of [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is LJTCNLCJXKKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-4-5-16-14(9-15)6-7-19(16)11-13-3-1-2-12(8-13)10-18/h1-5,8-9H,6-7,10-11,18H2.
What are the key properties of [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 272.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 13324736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).