(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol

C17H21NO — CID 834361

IUPAC(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-19H,2,12-13H2,1H3/t17-/m1/s1
InChIKeyZISMFCUMEUFDFU-QGZVFWFLSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds6

About (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol

(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol (PubChem CID 834361) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
PubChem CID834361
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-19H,2,12-13H2,1H3/t17-/m1/s1
InChIKeyZISMFCUMEUFDFU-QGZVFWFLSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
2-(2-phenylethylamino)butan-1-ol
CID 17157372
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol (CID 834361) is (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol?
The InChIKey is ZISMFCUMEUFDFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-19H,2,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol?
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 834361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).