1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine

C16H23NO — CID 117366198

IUPAC1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
SMILESC=C(C)COc1ccccc1C1(N)CCCCC1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-15-9-5-4-8-14(15)16(17)10-6-3-7-11-16/h4-5,8-9H,1,3,6-7,10-12,17H2,2H3
InChIKeyFTLOMQZTSMRHBB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine

1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine (PubChem CID 117366198) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
PubChem CID117366198
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
SMILESC=C(C)COc1ccccc1C1(N)CCCCC1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-15-9-5-4-8-14(15)16(17)10-6-3-7-11-16/h4-5,8-9H,1,3,6-7,10-12,17H2,2H3
InChIKeyFTLOMQZTSMRHBB-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-3-(2-methylprop-2-enoxy)phenyl]cyclopropan-1-amine
CID 84812289
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366200
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine
CID 117440916
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]cyclopropan-1-amine
CID 117477336
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine (CID 117366198) is 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine is C=C(C)COc1ccccc1C1(N)CCCCC1.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The InChIKey is FTLOMQZTSMRHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)12-18-15-9-5-4-8-14(15)16(17)10-6-3-7-11-16/h4-5,8-9H,1,3,6-7,10-12,17H2,2H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).