4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine

C16H25ClN2O2 — CID 126776390

IUPAC4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOCC(C)CNC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O2/c1-12(11-20-2)10-19-13-5-7-14(8-6-13)21-16-15(17)4-3-9-18-16/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3
InChIKeyIONFMEZGMRAIQZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.30
Rot. Bonds7

About 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine

4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine (PubChem CID 126776390) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
PubChem CID126776390
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOCC(C)CNC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O2/c1-12(11-20-2)10-19-13-5-7-14(8-6-13)21-16-15(17)4-3-9-18-16/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3
InChIKeyIONFMEZGMRAIQZ-UHFFFAOYSA-N
XLogP3.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine with MolForge

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Related Compounds

3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 126785748
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
CID 99823256
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 126772529
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
CID 103228870
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine (CID 126776390) is 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine is COCC(C)CNC1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The InChIKey is IONFMEZGMRAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-12(11-20-2)10-19-13-5-7-14(8-6-13)21-16-15(17)4-3-9-18-16/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine has a molecular weight of 312.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 126776390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).