2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine

C18H20FNO — CID 45253806

IUPAC2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1Oc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-15-7-9-16(10-8-15)21-18-12-14(6-11-17(18)20)13-4-2-1-3-5-13/h1-5,7-10,14,17-18H,6,11-12,20H2
InChIKeyCSKJEENZXGIDRK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine

2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine (PubChem CID 45253806) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine
PubChem CID45253806
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1Oc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-15-7-9-16(10-8-15)21-18-12-14(6-11-17(18)20)13-4-2-1-3-5-13/h1-5,7-10,14,17-18H,6,11-12,20H2
InChIKeyCSKJEENZXGIDRK-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-(4-fluorophenyl)cyclopentan-1-amine
CID 94827218
(3R,4S)-4-(4-fluorophenoxy)-1-methyl-3-phenylpiperidine
CID 12788468
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
4-(4-fluorophenoxy)oxolan-3-amine
CID 102571042
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
CID 43184028
(1S,2S,4S)-4-[5-[(4-fluorophenoxy)methyl]-2-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxycyclohexan-1-amine
CID 155505046
3-phenoxypiperidin-4-amine
CID 91441507
but-2-enedioic acid;(3R,4R)-4-(4-fluorophenoxy)-3-phenylpiperidine
CID 70513906
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
benzene;cyclopropylbenzene
CID 144638417
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine (CID 45253806) is 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine is NC1CCC(c2ccccc2)CC1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine?
The InChIKey is CSKJEENZXGIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-15-7-9-16(10-8-15)21-18-12-14(6-11-17(18)20)13-4-2-1-3-5-13/h1-5,7-10,14,17-18H,6,11-12,20H2.
What are the key properties of 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine?
2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 45253806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).