(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol

C16H20N2O — CID 124501809

IUPAC(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
SMILESCCCNc1cc(C)c([C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c1-3-9-17-15-10-12(2)14(11-18-15)16(19)13-7-5-4-6-8-13/h4-8,10-11,16,19H,3,9H2,1-2H3,(H,17,18)/t16-/m0/s1
InChIKeyFFLNIXFFQJYARZ-INIZCTEOSA-N
MW256.35 g/mol
LogP3.29
Rot. Bonds5

About (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol

(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol (PubChem CID 124501809) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
PubChem CID124501809
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
SMILESCCCNc1cc(C)c([C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c1-3-9-17-15-10-12(2)14(11-18-15)16(19)13-7-5-4-6-8-13/h4-8,10-11,16,19H,3,9H2,1-2H3,(H,17,18)/t16-/m0/s1
InChIKeyFFLNIXFFQJYARZ-INIZCTEOSA-N
XLogP3.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 102545295
[4-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
CID 102545191
[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-phenylmethanol
CID 102545154
5-(1-aminoethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545296
5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine
CID 124501811
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
(S)-[6-[ethyl(methyl)amino]-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501822
(S)-[6-(dimethylamino)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501757
(S)-(4-methyl-6-phenoxy-3-pyridinyl)-phenylmethanol
CID 124501783
5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545284
(1R)-1-[6-(propylamino)-3-pyridinyl]ethanol
CID 124502793

Frequently Asked Questions

What is the IUPAC name of (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol (CID 124501809) is (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol is CCCNc1cc(C)c([C@@H](O)c2ccccc2)cn1.
What is the InChIKey of (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol?
The InChIKey is FFLNIXFFQJYARZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-9-17-15-10-12(2)14(11-18-15)16(19)13-7-5-4-6-8-13/h4-8,10-11,16,19H,3,9H2,1-2H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol?
(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol has a molecular weight of 256.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124501809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).