(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol

C14H16N2O — CID 124502835

IUPAC(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C14H16N2O/c1-2-13(17)11-8-9-14(15-10-11)16-12-6-4-3-5-7-12/h3-10,13,17H,2H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeySDOGIHGQXARJNK-ZDUSSCGKSA-N
MW228.30 g/mol
LogP3.27
Rot. Bonds4

About (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol

(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol (PubChem CID 124502835) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol
PubChem CID124502835
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C14H16N2O/c1-2-13(17)11-8-9-14(15-10-11)16-12-6-4-3-5-7-12/h3-10,13,17H,2H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeySDOGIHGQXARJNK-ZDUSSCGKSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(6-anilino-5-methyl-3-pyridinyl)propan-1-ol
CID 124501345
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
(1R)-1-(6-phenylsulfanyl-3-pyridinyl)propan-1-ol
CID 124502785
5-methyl-N-phenylpyridin-2-amine
CID 12888062
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1-phenylpropan-1-ol;hydrate
CID 156782934
2-N-phenylpyridine-2,5-diamine
CID 3015331
1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
CID 102546555
1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea
CID 110179243
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
CID 102545372

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol?
The IUPAC name of (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol (CID 124502835) is (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol is CC[C@H](O)c1ccc(Nc2ccccc2)nc1.
What is the InChIKey of (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol?
The InChIKey is SDOGIHGQXARJNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-13(17)11-8-9-14(15-10-11)16-12-6-4-3-5-7-12/h3-10,13,17H,2H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol?
(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-anilino-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 124502835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).