1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine

C17H25NO2 — CID 117440916

IUPAC1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine
SMILESCC1(COc2ccccc2C2(N)CCCCC2)COC1
InChIInChI=1S/C17H25NO2/c1-16(11-19-12-16)13-20-15-8-4-3-7-14(15)17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3
InChIKeyCYHQPRORUANLCA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine

1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine (PubChem CID 117440916) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine
PubChem CID117440916
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine
SMILESCC1(COc2ccccc2C2(N)CCCCC2)COC1
InChIInChI=1S/C17H25NO2/c1-16(11-19-12-16)13-20-15-8-4-3-7-14(15)17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3
InChIKeyCYHQPRORUANLCA-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366198
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone
CID 84685677
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
CID 104659061
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine (CID 117440916) is 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine is CC1(COc2ccccc2C2(N)CCCCC2)COC1.
What is the InChIKey of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine?
The InChIKey is CYHQPRORUANLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(11-19-12-16)13-20-15-8-4-3-7-14(15)17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3.
What are the key properties of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine?
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117440916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).