3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine

C12H19ClN2O — CID 104624053

IUPAC3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
SMILESCOCCC(C)(C)CNc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-12(2,5-7-16-3)9-15-11-4-6-14-8-10(11)13/h4,6,8H,5,7,9H2,1-3H3,(H,14,15)
InChIKeyDKXUAUBMVKFTLZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.21
Rot. Bonds6

About 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine

3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine (PubChem CID 104624053) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
PubChem CID104624053
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
SMILESCOCCC(C)(C)CNc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-12(2,5-7-16-3)9-15-11-4-6-14-8-10(11)13/h4,6,8H,5,7,9H2,1-3H3,(H,14,15)
InChIKeyDKXUAUBMVKFTLZ-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 106141575
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine (CID 104624053) is 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine is COCCC(C)(C)CNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine?
The InChIKey is DKXUAUBMVKFTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,5-7-16-3)9-15-11-4-6-14-8-10(11)13/h4,6,8H,5,7,9H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine?
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine is sourced from PubChem (CID 104624053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).