(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol

C17H23N3O2 — CID 69359579

IUPAC(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol
SMILESCOc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cccnc2)c1
InChIInChI=1S/C17H23N3O2/c1-22-15-6-2-4-13(8-15)11-20-12-17(21)16(18)9-14-5-3-7-19-10-14/h2-8,10,16-17,20-21H,9,11-12,18H2,1H3/t16-,17+/m0/s1
InChIKeyXAMJDXRSOSEVIT-DLBZAZTESA-N
MW301.39 g/mol
LogP1.11
Rot. Bonds8

About (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol

(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol (PubChem CID 69359579) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol
PubChem CID69359579
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol
SMILESCOc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cccnc2)c1
InChIInChI=1S/C17H23N3O2/c1-22-15-6-2-4-13(8-15)11-20-12-17(21)16(18)9-14-5-3-7-19-10-14/h2-8,10,16-17,20-21H,9,11-12,18H2,1H3/t16-,17+/m0/s1
InChIKeyXAMJDXRSOSEVIT-DLBZAZTESA-N
XLogP1.11
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487215
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662303
(2R,3S)-3-amino-4-(3-butoxyphenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 59021873
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
(2R,3S)-3-amino-1-[(3-tert-butylphenyl)methylamino]-4-phenylbutan-2-ol
CID 59569831
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]acetamide
CID 69417384
3-amino-N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2-methylbutanamide
CID 57487240
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol (CID 69359579) is (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol is COc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cccnc2)c1.
What is the InChIKey of (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol?
The InChIKey is XAMJDXRSOSEVIT-DLBZAZTESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-15-6-2-4-13(8-15)11-20-12-17(21)16(18)9-14-5-3-7-19-10-14/h2-8,10,16-17,20-21H,9,11-12,18H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol?
(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 69359579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).