3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine

C16H22FNO — CID 64595065

IUPAC3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C16H22FNO/c1-19-15-7-6-13(9-14(15)17)16(18)8-2-3-12(10-16)11-4-5-11/h6-7,9,11-12H,2-5,8,10,18H2,1H3
InChIKeyRYUPDDSVOAMCRX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.59
Rot. Bonds3

About 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine

3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine (PubChem CID 64595065) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
PubChem CID64595065
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C16H22FNO/c1-19-15-7-6-13(9-14(15)17)16(18)8-2-3-12(10-16)11-4-5-11/h6-7,9,11-12H,2-5,8,10,18H2,1H3
InChIKeyRYUPDDSVOAMCRX-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64595828
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64593504
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
3-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)cyclohexan-1-amine
CID 107512498
3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
CID 82819865
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine (CID 64595065) is 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine is COc1ccc(C2(N)CCCC(C3CC3)C2)cc1F.
What is the InChIKey of 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is RYUPDDSVOAMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-19-15-7-6-13(9-14(15)17)16(18)8-2-3-12(10-16)11-4-5-11/h6-7,9,11-12H,2-5,8,10,18H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 64595065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).