3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol

C14H24N2O3 — CID 103173812

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
SMILESCOc1ccnc(CN(CCCO)C(C)C)c1OC
InChIInChI=1S/C14H24N2O3/c1-11(2)16(8-5-9-17)10-12-14(19-4)13(18-3)6-7-15-12/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyBIKKZFYADOYUNP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.69
Rot. Bonds8

About 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol

3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 103173812) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID103173812
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
SMILESCOc1ccnc(CN(CCCO)C(C)C)c1OC
InChIInChI=1S/C14H24N2O3/c1-11(2)16(8-5-9-17)10-12-14(19-4)13(18-3)6-7-15-12/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyBIKKZFYADOYUNP-UHFFFAOYSA-N
XLogP1.69
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol
CID 103173852
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 103173570
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 103173261
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
N-(2-chloroethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]butan-1-amine
CID 103173931
3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol
CID 62016590
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]butanenitrile
CID 103172838
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol (CID 103173812) is 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol is COc1ccnc(CN(CCCO)C(C)C)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is BIKKZFYADOYUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)16(8-5-9-17)10-12-14(19-4)13(18-3)6-7-15-12/h6-7,11,17H,5,8-10H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103173812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).