N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine

C18H22N2 — CID 54806649

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
SMILESc1ccc(CCNCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H22N2/c1-2-6-16(7-3-1)10-12-19-13-15-20-14-11-17-8-4-5-9-18(17)20/h1-9,19H,10-15H2
InChIKeyLRPISIIIBZTSJD-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine (PubChem CID 54806649) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
PubChem CID54806649
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
SMILESc1ccc(CCNCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H22N2/c1-2-6-16(7-3-1)10-12-19-13-15-20-14-11-17-8-4-5-9-18(17)20/h1-9,19H,10-15H2
InChIKeyLRPISIIIBZTSJD-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine (CID 54806649) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine is c1ccc(CCNCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine?
The InChIKey is LRPISIIIBZTSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-6-16(7-3-1)10-12-19-13-15-20-14-11-17-8-4-5-9-18(17)20/h1-9,19H,10-15H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine has a molecular weight of 266.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 54806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).