1-(4-phenylphenyl)butan-2-amine

C16H19N — CID 23591877

IUPAC1-(4-phenylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3
InChIKeyCBHCOZDTWGFWOY-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-phenylphenyl)butan-2-amine

1-(4-phenylphenyl)butan-2-amine (PubChem CID 23591877) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-phenylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-phenylphenyl)butan-2-amine
PubChem CID23591877
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-(4-phenylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3
InChIKeyCBHCOZDTWGFWOY-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-aminobutyl)phenyl]benzoic acid
CID 170888400
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160
4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine
CID 155029957
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
1-(2-ethylpentyl)-4-phenylbenzene
CID 90914165
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)butan-2-amine?
The IUPAC name of 1-(4-phenylphenyl)butan-2-amine (CID 23591877) is 1-(4-phenylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-phenylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-phenylphenyl)butan-2-amine is CCC(N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)butan-2-amine?
The InChIKey is CBHCOZDTWGFWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3.
What are the key properties of 1-(4-phenylphenyl)butan-2-amine?
1-(4-phenylphenyl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)butan-2-amine is sourced from PubChem (CID 23591877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).