2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine

C17H20N2 — CID 39226206

IUPAC2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
SMILESCN1CCc2cc(-c3ccc(CCN)cc3)ccc21
InChIInChI=1S/C17H20N2/c1-19-11-9-16-12-15(6-7-17(16)19)14-4-2-13(3-5-14)8-10-18/h2-7,12H,8-11,18H2,1H3
InChIKeyGJCNTCKSIPCZFL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine

2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine (PubChem CID 39226206) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
PubChem CID39226206
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
SMILESCN1CCc2cc(-c3ccc(CCN)cc3)ccc21
InChIInChI=1S/C17H20N2/c1-19-11-9-16-12-15(6-7-17(16)19)14-4-2-13(3-5-14)8-10-18/h2-7,12H,8-11,18H2,1H3
InChIKeyGJCNTCKSIPCZFL-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
1-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]cyclopropan-1-amine
CID 105470358
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 55035254
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole
CID 143575583
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine (CID 39226206) is 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine is CN1CCc2cc(-c3ccc(CCN)cc3)ccc21.
What is the InChIKey of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The InChIKey is GJCNTCKSIPCZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19-11-9-16-12-15(6-7-17(16)19)14-4-2-13(3-5-14)8-10-18/h2-7,12H,8-11,18H2,1H3.
What are the key properties of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 39226206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).