(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol

C9H14N2O — CID 964925

IUPAC(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccncc1
InChIInChI=1S/C9H14N2O/c1-8(12)6-11-7-9-2-4-10-5-3-9/h2-5,8,11-12H,6-7H2,1H3/t8-/m0/s1
InChIKeyAMSSEAYOHAZSNJ-QMMMGPOBSA-N
MW166.22 g/mol
LogP0.55
Rot. Bonds4

About (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol

(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol (PubChem CID 964925) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
PubChem CID964925
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccncc1
InChIInChI=1S/C9H14N2O/c1-8(12)6-11-7-9-2-4-10-5-3-9/h2-5,8,11-12H,6-7H2,1H3/t8-/m0/s1
InChIKeyAMSSEAYOHAZSNJ-QMMMGPOBSA-N
XLogP0.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzylamino)propan-2-ol
CID 964914
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
CID 60663243
(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797318
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol (CID 964925) is (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol is C[C@H](O)CNCc1ccncc1.
What is the InChIKey of (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol?
The InChIKey is AMSSEAYOHAZSNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(12)6-11-7-9-2-4-10-5-3-9/h2-5,8,11-12H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol?
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pyridin-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 964925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).