N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine

C14H21ClN2O — CID 113371327

IUPACN-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC1CCCCC1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-18-13-8-5-9-16-14(13)17-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyWSKYOOJTTIXXGN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine

N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine (PubChem CID 113371327) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine
PubChem CID113371327
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC1CCCCC1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-18-13-8-5-9-16-14(13)17-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyWSKYOOJTTIXXGN-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminocyclopentyl)methyl]-3-propoxypyridin-2-amine
CID 113371376
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
CID 107389367
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N-(cyclohexylmethyl)-3-methylpyridin-2-amine
CID 60960481
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine (CID 113371327) is N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine is CCOc1cccnc1NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine?
The InChIKey is WSKYOOJTTIXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-18-13-8-5-9-16-14(13)17-10-11-6-3-4-7-12(11)15/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine?
N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine is sourced from PubChem (CID 113371327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).