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

C18H21N — CID 15061890

IUPACN-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CCCNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2
InChIKeyHQOMLTLQWBDVRA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.38
Rot. Bonds5

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

N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 15061890) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID15061890
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CCCNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2
InChIKeyHQOMLTLQWBDVRA-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.38
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-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine (CID 15061890) is N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine is c1ccc(CCCNC2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HQOMLTLQWBDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2.
What are the key properties of N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 15061890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).