(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol

C17H22N2O — CID 68622948

IUPAC(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-13(2)16(12-20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,16-17,19-20H,12H2,1-2H3/t16-,17?/m0/s1
InChIKeyDWXSXGJXWGWGNQ-BHWOMJMDSA-N
MW270.38 g/mol
LogP2.78
Rot. Bonds6

About (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol

(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol (PubChem CID 68622948) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
PubChem CID68622948
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-13(2)16(12-20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,16-17,19-20H,12H2,1-2H3/t16-,17?/m0/s1
InChIKeyDWXSXGJXWGWGNQ-BHWOMJMDSA-N
XLogP2.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
CID 16663816
2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol
CID 110011313
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol (CID 68622948) is (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol is CC(C)[C@H](CO)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol?
The InChIKey is DWXSXGJXWGWGNQ-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)16(12-20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,16-17,19-20H,12H2,1-2H3/t16-,17?/m0/s1.
What are the key properties of (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol?
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 68622948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).