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

C13H21NO2 — CID 40727274

IUPAC(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cccc(CN[C@H](CC)CO)c1
InChIInChI=1S/C13H21NO2/c1-3-12(10-15)14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyGHKMTQNEMVDCDT-GFCCVEGCSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

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

(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol (PubChem CID 40727274) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
PubChem CID40727274
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cccc(CN[C@H](CC)CO)c1
InChIInChI=1S/C13H21NO2/c1-3-12(10-15)14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyGHKMTQNEMVDCDT-GFCCVEGCSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol (CID 40727274) is (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol is CCOc1cccc(CN[C@H](CC)CO)c1.
What is the InChIKey of (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is GHKMTQNEMVDCDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-12(10-15)14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 40727274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).