(2R,3R)-N-benzyl-3-phenylbutan-2-amine

C17H21N — CID 101198951

IUPAC(2R,3R)-N-benzyl-3-phenylbutan-2-amine
SMILESC[C@H](c1ccccc1)[C@@H](C)NCc1ccccc1
InChIInChI=1S/C17H21N/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3/t14-,15+/m0/s1
InChIKeyBOLAUNKPIISENF-LSDHHAIUSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds5

About (2R,3R)-N-benzyl-3-phenylbutan-2-amine

(2R,3R)-N-benzyl-3-phenylbutan-2-amine (PubChem CID 101198951) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-3-phenylbutan-2-amine
PubChem CID101198951
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2R,3R)-N-benzyl-3-phenylbutan-2-amine
SMILESC[C@H](c1ccccc1)[C@@H](C)NCc1ccccc1
InChIInChI=1S/C17H21N/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3/t14-,15+/m0/s1
InChIKeyBOLAUNKPIISENF-LSDHHAIUSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
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(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
CID 117068240
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-3-phenylbutan-2-amine?
The IUPAC name of (2R,3R)-N-benzyl-3-phenylbutan-2-amine (CID 101198951) is (2R,3R)-N-benzyl-3-phenylbutan-2-amine.
What is the SMILES notation for (2R,3R)-N-benzyl-3-phenylbutan-2-amine?
The canonical SMILES for (2R,3R)-N-benzyl-3-phenylbutan-2-amine is C[C@H](c1ccccc1)[C@@H](C)NCc1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-3-phenylbutan-2-amine?
The InChIKey is BOLAUNKPIISENF-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R,3R)-N-benzyl-3-phenylbutan-2-amine?
(2R,3R)-N-benzyl-3-phenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-3-phenylbutan-2-amine is sourced from PubChem (CID 101198951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).