2-(4-phenylphenyl)pentan-3-amine

C17H21N — CID 79308070

IUPAC2-(4-phenylphenyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-17(18)13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3,18H2,1-2H3
InChIKeyVUSPYYBJEKAXBG-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-phenylphenyl)pentan-3-amine

2-(4-phenylphenyl)pentan-3-amine (PubChem CID 79308070) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-phenylphenyl)pentan-3-amine.

Molecular Properties

Compound Name2-(4-phenylphenyl)pentan-3-amine
PubChem CID79308070
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(4-phenylphenyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-17(18)13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3,18H2,1-2H3
InChIKeyVUSPYYBJEKAXBG-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-(3-bromobutan-2-yl)-4-phenylbenzene
CID 66469855
4-(4-phenylphenyl)pentan-2-amine
CID 65456648
1-(4-phenylphenyl)butan-1-amine
CID 43197430
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
CID 142053065
[3-methyl-1-(4-phenylphenyl)pentyl]hydrazine
CID 105310511
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)pentan-3-amine?
The IUPAC name of 2-(4-phenylphenyl)pentan-3-amine (CID 79308070) is 2-(4-phenylphenyl)pentan-3-amine.
What is the SMILES notation for 2-(4-phenylphenyl)pentan-3-amine?
The canonical SMILES for 2-(4-phenylphenyl)pentan-3-amine is CCC(N)C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)pentan-3-amine?
The InChIKey is VUSPYYBJEKAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-17(18)13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3,18H2,1-2H3.
What are the key properties of 2-(4-phenylphenyl)pentan-3-amine?
2-(4-phenylphenyl)pentan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)pentan-3-amine is sourced from PubChem (CID 79308070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).