N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine

C19H23N — CID 103776446

IUPACN-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CCCCNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H23N/c1-2-8-16(9-3-1)10-6-7-13-20-19-14-17-11-4-5-12-18(17)15-19/h1-5,8-9,11-12,19-20H,6-7,10,13-15H2
InChIKeyLMIDDVCGMGMHLJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.77
Rot. Bonds6

About N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine

N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 103776446) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID103776446
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CCCCNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H23N/c1-2-8-16(9-3-1)10-6-7-13-20-19-14-17-11-4-5-12-18(17)15-19/h1-5,8-9,11-12,19-20H,6-7,10,13-15H2
InChIKeyLMIDDVCGMGMHLJ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine (CID 103776446) is N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine is c1ccc(CCCCNC2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is LMIDDVCGMGMHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-8-16(9-3-1)10-6-7-13-20-19-14-17-11-4-5-12-18(17)15-19/h1-5,8-9,11-12,19-20H,6-7,10,13-15H2.
What are the key properties of N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine?
N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103776446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).