(2R)-2,4-diphenylbutan-1-amine

C16H19N — CID 10998696

IUPAC(2R)-2,4-diphenylbutan-1-amine
SMILESNC[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2/t16-/m0/s1
InChIKeyRMOITFVHFQWNTE-INIZCTEOSA-N
MW225.34 g/mol
LogP3.36
Rot. Bonds5

About (2R)-2,4-diphenylbutan-1-amine

(2R)-2,4-diphenylbutan-1-amine (PubChem CID 10998696) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (2R)-2,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name(2R)-2,4-diphenylbutan-1-amine
PubChem CID10998696
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(2R)-2,4-diphenylbutan-1-amine
SMILESNC[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2/t16-/m0/s1
InChIKeyRMOITFVHFQWNTE-INIZCTEOSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylbutane-1,4-diamine
CID 16770348
4-naphthalen-1-yl-2-phenylbutan-1-amine
CID 81011301
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
2-phenylpentan-1-amine
CID 14321247
2-phenylpentane-1,5-diamine
CID 22770284
4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
CID 113456145
[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
CID 154725709
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
(3R)-3,5-diphenylpentanoic acid
CID 821797
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diphenylbutan-1-amine?
The IUPAC name of (2R)-2,4-diphenylbutan-1-amine (CID 10998696) is (2R)-2,4-diphenylbutan-1-amine.
What is the SMILES notation for (2R)-2,4-diphenylbutan-1-amine?
The canonical SMILES for (2R)-2,4-diphenylbutan-1-amine is NC[C@H](CCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2,4-diphenylbutan-1-amine?
The InChIKey is RMOITFVHFQWNTE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,17H2/t16-/m0/s1.
What are the key properties of (2R)-2,4-diphenylbutan-1-amine?
(2R)-2,4-diphenylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diphenylbutan-1-amine is sourced from PubChem (CID 10998696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).