[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine

C16H18N2 — CID 16793024

IUPAC[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C16H18N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-12,17H2
InChIKeyOEZFNZZRJOEHHS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.71
Rot. Bonds3

About [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine (PubChem CID 16793024) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
PubChem CID16793024
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C16H18N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-12,17H2
InChIKeyOEZFNZZRJOEHHS-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,3-dihydroindole
CID 154074412
2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111053525
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine (CID 16793024) is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine is NCc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine?
The InChIKey is OEZFNZZRJOEHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-12,17H2.
What are the key properties of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine?
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 16793024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).