N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine

C16H24FNO — CID 107170950

IUPACN-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
SMILESCc1ccc(OCCNC2CCCCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-13-8-9-15(12-16(13)17)19-11-10-18-14-6-4-2-3-5-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3
InChIKeyUVNDLIQPJZLGKM-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine

N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine (PubChem CID 107170950) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
PubChem CID107170950
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
SMILESCc1ccc(OCCNC2CCCCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-13-8-9-15(12-16(13)17)19-11-10-18-14-6-4-2-3-5-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3
InChIKeyUVNDLIQPJZLGKM-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine (CID 107170950) is N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine is Cc1ccc(OCCNC2CCCCCC2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine?
The InChIKey is UVNDLIQPJZLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13-8-9-15(12-16(13)17)19-11-10-18-14-6-4-2-3-5-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine?
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 107170950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).