1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine

C15H22FNO — CID 82768870

IUPAC1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc(F)cc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C15H22FNO/c1-14(2)6-8-15(17,9-7-14)12-10-11(16)4-5-13(12)18-3/h4-5,10H,6-9,17H2,1-3H3
InChIKeyDPGZETQILSNYHA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.59
Rot. Bonds2

About 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine

1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 82768870) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID82768870
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc(F)cc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C15H22FNO/c1-14(2)6-8-15(17,9-7-14)12-10-11(16)4-5-13(12)18-3/h4-5,10H,6-9,17H2,1-3H3
InChIKeyDPGZETQILSNYHA-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 66688931
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine (CID 82768870) is 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine is COc1ccc(F)cc1C1(N)CCC(C)(C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is DPGZETQILSNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2)6-8-15(17,9-7-14)12-10-11(16)4-5-13(12)18-3/h4-5,10H,6-9,17H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82768870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).