(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol

C19H27N3O — CID 68672433

IUPAC(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol
SMILESCC(C)c1cncc(N(C)C[C@@H](O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H27N3O/c1-14(2)16-10-17(12-21-11-16)22(3)13-19(23)18(20)9-15-7-5-4-6-8-15/h4-8,10-12,14,18-19,23H,9,13,20H2,1-3H3/t18-,19+/m0/s1
InChIKeyNZSOPAHASZUYSC-RBUKOAKNSA-N
MW313.45 g/mol
LogP2.57
Rot. Bonds7

About (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol

(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol (PubChem CID 68672433) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol
PubChem CID68672433
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol
SMILESCC(C)c1cncc(N(C)C[C@@H](O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H27N3O/c1-14(2)16-10-17(12-21-11-16)22(3)13-19(23)18(20)9-15-7-5-4-6-8-15/h4-8,10-12,14,18-19,23H,9,13,20H2,1-3H3/t18-,19+/m0/s1
InChIKeyNZSOPAHASZUYSC-RBUKOAKNSA-N
XLogP2.57
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol (CID 68672433) is (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol is CC(C)c1cncc(N(C)C[C@@H](O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol?
The InChIKey is NZSOPAHASZUYSC-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)16-10-17(12-21-11-16)22(3)13-19(23)18(20)9-15-7-5-4-6-8-15/h4-8,10-12,14,18-19,23H,9,13,20H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol has a molecular weight of 313.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 68672433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).