1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine

C29H35N — CID 23203034

IUPAC1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCN(C)C1Cc2ccccc2C1Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C29H35N/c1-3-4-12-19-30(2)29-22-26-17-10-11-18-27(26)28(29)21-25-16-9-8-15-24(25)20-23-13-6-5-7-14-23/h5-11,13-18,28-29H,3-4,12,19-22H2,1-2H3
InChIKeyDPERQELLRTZMSF-UHFFFAOYSA-N
MW397.61 g/mol
LogP6.65
Rot. Bonds9

About 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine

1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 23203034) has the molecular formula C29H35N and a molecular weight of 397.61 g/mol. Its IUPAC name is 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine
PubChem CID23203034
Molecular FormulaC29H35N
Molecular Weight397.61 g/mol
Exact Mass397.28
IUPAC Name1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCN(C)C1Cc2ccccc2C1Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C29H35N/c1-3-4-12-19-30(2)29-22-26-17-10-11-18-27(26)28(29)21-25-16-9-8-15-24(25)20-23-13-6-5-7-14-23/h5-11,13-18,28-29H,3-4,12,19-22H2,1-2H3
InChIKeyDPERQELLRTZMSF-UHFFFAOYSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hexafluorenium Bromide
CID 9434
Hexafluorenium
CID 3601
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
(5,5-Diphenyl-pentyl)-methyl-phenethyl-amine
CID 44310858
Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
SK&F 550
CID 162327
4-Benzyl-1-indan-2-ylmethyl-piperidine
CID 11336800
2-Di-n-propylaminoindan
CID 130402
Dimefadane hydrochloride
CID 517910
1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine (CID 23203034) is 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine is CCCCCN(C)C1Cc2ccccc2C1Cc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DPERQELLRTZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N/c1-3-4-12-19-30(2)29-22-26-17-10-11-18-27(26)28(29)21-25-16-9-8-15-24(25)20-23-13-6-5-7-14-23/h5-11,13-18,28-29H,3-4,12,19-22H2,1-2H3.
What are the key properties of 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine?
1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 397.61 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylphenyl)methyl]-N-methyl-N-pentyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23203034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).