2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine

C17H26FNO — CID 107657388

IUPAC2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Oc1cccc(C)c1F
InChIInChI=1S/C17H26FNO/c1-3-12-19-14-9-5-4-6-10-15(14)20-16-11-7-8-13(2)17(16)18/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3
InChIKeyHRRPPLHGEAQBRB-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.21
Rot. Bonds5

About 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine

2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine (PubChem CID 107657388) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
PubChem CID107657388
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Oc1cccc(C)c1F
InChIInChI=1S/C17H26FNO/c1-3-12-19-14-9-5-4-6-10-15(14)20-16-11-7-8-13(2)17(16)18/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3
InChIKeyHRRPPLHGEAQBRB-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine
CID 99856441

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine (CID 107657388) is 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1Oc1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine?
The InChIKey is HRRPPLHGEAQBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-12-19-14-9-5-4-6-10-15(14)20-16-11-7-8-13(2)17(16)18/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine?
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 107657388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).