1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol

C18H24N2O — CID 82313507

IUPAC1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol
SMILESCCC(NCc1ccncc1)C(O)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2O/c1-4-17(20-12-15-7-9-19-10-8-15)18(21)16-6-5-13(2)11-14(16)3/h5-11,17-18,20-21H,4,12H2,1-3H3
InChIKeyHMXBSNNBGQZGHJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol

1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol (PubChem CID 82313507) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol
PubChem CID82313507
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol
SMILESCCC(NCc1ccncc1)C(O)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2O/c1-4-17(20-12-15-7-9-19-10-8-15)18(21)16-6-5-13(2)11-14(16)3/h5-11,17-18,20-21H,4,12H2,1-3H3
InChIKeyHMXBSNNBGQZGHJ-UHFFFAOYSA-N
XLogP3.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 56932781
1-(2,4-dimethylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
CID 82313512
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
[1-(2,4-dimethylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212370
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
4-(2,4-dimethylphenyl)-4-hydroxy-3-(1-hydroxybutan-2-ylamino)butanoic acid
CID 82349733
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
methyl 3-(butan-2-ylamino)-4-(2,4-dimethylphenyl)-4-hydroxybutanoate
CID 82349758
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol (CID 82313507) is 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol is CCC(NCc1ccncc1)C(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The InChIKey is HMXBSNNBGQZGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-17(20-12-15-7-9-19-10-8-15)18(21)16-6-5-13(2)11-14(16)3/h5-11,17-18,20-21H,4,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol?
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 82313507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).