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

C14H23ClN2O — CID 103031354

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-17-13(6-8-14(2,3)18-4)11-7-9-16-10-12(11)15/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyWZPSFBSLECUSBN-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.59
Rot. Bonds7

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

1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031354) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031354
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-17-13(6-8-14(2,3)18-4)11-7-9-16-10-12(11)15/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyWZPSFBSLECUSBN-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(3-chloro-4-pyridinyl)-N-ethylbut-3-yn-1-amine
CID 105077416
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201768
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030450
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031752
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031354) is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is WZPSFBSLECUSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-17-13(6-8-14(2,3)18-4)11-7-9-16-10-12(11)15/h7,9-10,13,17H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 270.80 g/mol, XLogP of 3.59, 7 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-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).