1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine

C12H19ClN2O — CID 103027370

IUPAC1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-12(2,16-3)7-10(14)6-9-4-5-15-8-11(9)13/h4-5,8,10H,6-7,14H2,1-3H3
InChIKeyVMSVXLYENYYMAU-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.42
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine

1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103027370) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103027370
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-12(2,16-3)7-10(14)6-9-4-5-15-8-11(9)13/h4-5,8,10H,6-7,14H2,1-3H3
InChIKeyVMSVXLYENYYMAU-UHFFFAOYSA-N
XLogP2.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724281
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79045476
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine (CID 103027370) is 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is VMSVXLYENYYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,16-3)7-10(14)6-9-4-5-15-8-11(9)13/h4-5,8,10H,6-7,14H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine?
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 242.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103027370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).