N-methyl-3-phenoxycyclohexan-1-amine

C13H19NO — CID 79618884

IUPACN-methyl-3-phenoxycyclohexan-1-amine
SMILESCNC1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyXNGQTYLAZFOUQS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-3-phenoxycyclohexan-1-amine

N-methyl-3-phenoxycyclohexan-1-amine (PubChem CID 79618884) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-3-phenoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenoxycyclohexan-1-amine
PubChem CID79618884
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-3-phenoxycyclohexan-1-amine
SMILESCNC1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyXNGQTYLAZFOUQS-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
CID 79619308
3-phenoxycyclohexan-1-ol
CID 79617811
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
CID 79618474
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
CID 79642888
(3-methylcyclobutyl)oxybenzene
CID 126670705
3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141060072
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxycyclohexan-1-amine?
The IUPAC name of N-methyl-3-phenoxycyclohexan-1-amine (CID 79618884) is N-methyl-3-phenoxycyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-phenoxycyclohexan-1-amine?
The canonical SMILES for N-methyl-3-phenoxycyclohexan-1-amine is CNC1CCCC(Oc2ccccc2)C1.
What is the InChIKey of N-methyl-3-phenoxycyclohexan-1-amine?
The InChIKey is XNGQTYLAZFOUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-3-phenoxycyclohexan-1-amine?
N-methyl-3-phenoxycyclohexan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxycyclohexan-1-amine is sourced from PubChem (CID 79618884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).