(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol

C18H24N2O — CID 124502827

IUPAC(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol
SMILESCCCN(CCC)c1ccc([C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C18H24N2O/c1-3-12-20(13-4-2)17-11-10-16(14-19-17)18(21)15-8-6-5-7-9-15/h5-11,14,18,21H,3-4,12-13H2,1-2H3/t18-/m0/s1
InChIKeyNMGIJTPFQNBQNK-SFHVURJKSA-N
MW284.40 g/mol
LogP3.79
Rot. Bonds7

About (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol

(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol (PubChem CID 124502827) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol
PubChem CID124502827
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol
SMILESCCCN(CCC)c1ccc([C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C18H24N2O/c1-3-12-20(13-4-2)17-11-10-16(14-19-17)18(21)15-8-6-5-7-9-15/h5-11,14,18,21H,3-4,12-13H2,1-2H3/t18-/m0/s1
InChIKeyNMGIJTPFQNBQNK-SFHVURJKSA-N
XLogP3.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(diethylamino)-3-pyridinyl]-phenylmethanol
CID 102546636
5-(2-phenylethyl)-N,N-dipropylpyridin-2-amine
CID 174628687
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
5-[(R)-amino(phenyl)methyl]-4-methyl-N,N-dipropylpyridin-2-amine
CID 124501853
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
5-N-ethyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 82104326
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
(S)-[6-[ethyl(methyl)amino]-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501822
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
N,N-diethyl-5-pentan-2-ylpyridin-2-amine
CID 131989882
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
CID 80674163

Frequently Asked Questions

What is the IUPAC name of (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol (CID 124502827) is (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol is CCCN(CCC)c1ccc([C@@H](O)c2ccccc2)cn1.
What is the InChIKey of (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol?
The InChIKey is NMGIJTPFQNBQNK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-12-20(13-4-2)17-11-10-16(14-19-17)18(21)15-8-6-5-7-9-15/h5-11,14,18,21H,3-4,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol?
(S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol has a molecular weight of 284.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[6-(dipropylamino)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124502827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).