(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol

C17H21NO2 — CID 28723157

IUPAC(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-15(13-19)18-12-14-7-6-10-17(11-14)20-16-8-4-3-5-9-16/h3-11,15,18-19H,2,12-13H2,1H3/t15-/m1/s1
InChIKeyNKWIIENBWSVDPC-OAHLLOKOSA-N
MW271.36 g/mol
LogP3.34
Rot. Bonds7

About (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol

(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol (PubChem CID 28723157) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
PubChem CID28723157
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-15(13-19)18-12-14-7-6-10-17(11-14)20-16-8-4-3-5-9-16/h3-11,15,18-19H,2,12-13H2,1H3/t15-/m1/s1
InChIKeyNKWIIENBWSVDPC-OAHLLOKOSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol (CID 28723157) is (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol?
The InChIKey is NKWIIENBWSVDPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-15(13-19)18-12-14-7-6-10-17(11-14)20-16-8-4-3-5-9-16/h3-11,15,18-19H,2,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 28723157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).