1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

C13H21ClN2O — CID 79197915

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1ccncc1Cl)C(C)(C)OC
InChIInChI=1S/C13H21ClN2O/c1-5-16-12(13(2,3)17-4)8-10-6-7-15-9-11(10)14/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyCLZRNDKTBQVTPP-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197915) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
PubChem CID79197915
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1ccncc1Cl)C(C)(C)OC
InChIInChI=1S/C13H21ClN2O/c1-5-16-12(13(2,3)17-4)8-10-6-7-15-9-11(10)14/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyCLZRNDKTBQVTPP-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
1-(3-chloro-4-pyridinyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724281
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
N-ethyl-2-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 79198385
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (CID 79197915) is 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is CCNC(Cc1ccncc1Cl)C(C)(C)OC.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is CLZRNDKTBQVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-5-16-12(13(2,3)17-4)8-10-6-7-15-9-11(10)14/h6-7,9,12,16H,5,8H2,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 256.78 g/mol, XLogP of 2.68, 6 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)-N-ethyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).