2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine

C15H23NO2 — CID 62110928

IUPAC2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
SMILESCOc1cccc(COC2CCCCCC2N)c1
InChIInChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-18-15-9-4-2-3-8-14(15)16/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3
InChIKeyKBNCGOZOSUMKLR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine

2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine (PubChem CID 62110928) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
PubChem CID62110928
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
SMILESCOc1cccc(COC2CCCCCC2N)c1
InChIInChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-18-15-9-4-2-3-8-14(15)16/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3
InChIKeyKBNCGOZOSUMKLR-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
CID 113439770
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
CID 59459056
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
2-(3-methoxyphenoxy)cyclopentan-1-amine
CID 16796159
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine (CID 62110928) is 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine is COc1cccc(COC2CCCCCC2N)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine?
The InChIKey is KBNCGOZOSUMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-18-15-9-4-2-3-8-14(15)16/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine?
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine is sourced from PubChem (CID 62110928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).