1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine

C20H25N — CID 115864978

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-2-19(17-7-4-3-5-8-17)20(21)14-15-11-12-16-9-6-10-18(16)13-15/h3-5,7-8,11-13,19-20H,2,6,9-10,14,21H2,1H3
InChIKeyDTDFJZQMYFOAAU-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.24
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine (PubChem CID 115864978) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
PubChem CID115864978
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-2-19(17-7-4-3-5-8-17)20(21)14-15-11-12-16-9-6-10-18(16)13-15/h3-5,7-8,11-13,19-20H,2,6,9-10,14,21H2,1H3
InChIKeyDTDFJZQMYFOAAU-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503122
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
CID 64507895
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine (CID 115864978) is 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine is CCC(c1ccccc1)C(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine?
The InChIKey is DTDFJZQMYFOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-19(17-7-4-3-5-8-17)20(21)14-15-11-12-16-9-6-10-18(16)13-15/h3-5,7-8,11-13,19-20H,2,6,9-10,14,21H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine is sourced from PubChem (CID 115864978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).