4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine

C14H21ClN2O — CID 113414026

IUPAC4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(OCc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-2-17-12-3-5-13(6-4-12)18-10-11-7-8-16-9-14(11)15/h7-9,12-13,17H,2-6,10H2,1H3
InChIKeyLQGYREZLIMVIHF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.17
Rot. Bonds5

About 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine

4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine (PubChem CID 113414026) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
PubChem CID113414026
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(OCc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-2-17-12-3-5-13(6-4-12)18-10-11-7-8-16-9-14(11)15/h7-9,12-13,17H,2-6,10H2,1H3
InChIKeyLQGYREZLIMVIHF-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-pyridinyl)methoxy]cyclopentan-1-amine
CID 79465484
N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 115953990
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
CID 79122529
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
4-[(4-bromo-2-nitrophenyl)methoxy]-N-ethylcyclohexan-1-amine
CID 114380918
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103046492
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine (CID 113414026) is 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine is CCNC1CCC(OCc2ccncc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine?
The InChIKey is LQGYREZLIMVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-17-12-3-5-13(6-4-12)18-10-11-7-8-16-9-14(11)15/h7-9,12-13,17H,2-6,10H2,1H3.
What are the key properties of 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine?
4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 113414026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).