3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine

C16H24FNO — CID 103396741

IUPAC3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(c2ccc(OC)cc2F)C1
InChIInChI=1S/C16H24FNO/c1-3-9-18-13-6-4-5-12(10-13)15-8-7-14(19-2)11-16(15)17/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyXUSAGMSXXHZUFH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.86
Rot. Bonds5

About 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine

3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine (PubChem CID 103396741) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
PubChem CID103396741
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(c2ccc(OC)cc2F)C1
InChIInChI=1S/C16H24FNO/c1-3-9-18-13-6-4-5-12(10-13)15-8-7-14(19-2)11-16(15)17/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyXUSAGMSXXHZUFH-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869390
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine (CID 103396741) is 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(c2ccc(OC)cc2F)C1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine?
The InChIKey is XUSAGMSXXHZUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-9-18-13-6-4-5-12(10-13)15-8-7-14(19-2)11-16(15)17/h7-8,11-13,18H,3-6,9-10H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine?
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103396741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).