[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine

C15H21F2NO — CID 28937862

IUPAC[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1(c2ccc(OC(F)F)cc2)CCCCCC1
InChIInChI=1S/C15H21F2NO/c16-14(17)19-13-7-5-12(6-8-13)15(11-18)9-3-1-2-4-10-15/h5-8,14H,1-4,9-11,18H2
InChIKeyVUAYNLXRJARCAV-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.84
Rot. Bonds4

About [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine

[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine (PubChem CID 28937862) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
PubChem CID28937862
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1(c2ccc(OC(F)F)cc2)CCCCCC1
InChIInChI=1S/C15H21F2NO/c16-14(17)19-13-7-5-12(6-8-13)15(11-18)9-3-1-2-4-10-15/h5-8,14H,1-4,9-11,18H2
InChIKeyVUAYNLXRJARCAV-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
CID 79679892
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
CID 117402969
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[4-[1-(aminomethyl)cyclohexyl]phenyl]boronic acid
CID 82070647
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117470986

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine?
The IUPAC name of [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine (CID 28937862) is [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine is NCC1(c2ccc(OC(F)F)cc2)CCCCCC1.
What is the InChIKey of [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine?
The InChIKey is VUAYNLXRJARCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-14(17)19-13-7-5-12(6-8-13)15(11-18)9-3-1-2-4-10-15/h5-8,14H,1-4,9-11,18H2.
What are the key properties of [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine?
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine is sourced from PubChem (CID 28937862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).