1,4-diphenylbutan-2-amine

C16H19N — CID 60820174

IUPAC1,4-diphenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2
InChIKeyLPKCCFVGNTZLEG-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.19
Rot. Bonds5

About 1,4-diphenylbutan-2-amine

1,4-diphenylbutan-2-amine (PubChem CID 60820174) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1,4-diphenylbutan-2-amine.

Molecular Properties

Compound Name1,4-diphenylbutan-2-amine
PubChem CID60820174
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1,4-diphenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2
InChIKeyLPKCCFVGNTZLEG-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
2-amino-4-phenylbutan-1-ol
CID 159249603
5-phenylpentane-1,3-diamine
CID 68702978
(3R)-1-phenylhexan-3-amine
CID 66612996
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
6-phenylhexane-1,4-diamine
CID 23163544
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbutan-2-amine?
The IUPAC name of 1,4-diphenylbutan-2-amine (CID 60820174) is 1,4-diphenylbutan-2-amine.
What is the SMILES notation for 1,4-diphenylbutan-2-amine?
The canonical SMILES for 1,4-diphenylbutan-2-amine is NC(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,4-diphenylbutan-2-amine?
The InChIKey is LPKCCFVGNTZLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2.
What are the key properties of 1,4-diphenylbutan-2-amine?
1,4-diphenylbutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbutan-2-amine is sourced from PubChem (CID 60820174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).