1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine

C15H21F2NO — CID 105404480

IUPAC1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
SMILESNC1(COCc2cc(F)cc(F)c2)CCCCCC1
InChIInChI=1S/C15H21F2NO/c16-13-7-12(8-14(17)9-13)10-19-11-15(18)5-3-1-2-4-6-15/h7-9H,1-6,10-11,18H2
InChIKeyDBJCFYPALLSNEI-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.53
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine

1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine (PubChem CID 105404480) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
PubChem CID105404480
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
SMILESNC1(COCc2cc(F)cc(F)c2)CCCCCC1
InChIInChI=1S/C15H21F2NO/c16-13-7-12(8-14(17)9-13)10-19-11-15(18)5-3-1-2-4-6-15/h7-9H,1-6,10-11,18H2
InChIKeyDBJCFYPALLSNEI-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine (CID 105404480) is 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine is NC1(COCc2cc(F)cc(F)c2)CCCCCC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is DBJCFYPALLSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-13-7-12(8-14(17)9-13)10-19-11-15(18)5-3-1-2-4-6-15/h7-9H,1-6,10-11,18H2.
What are the key properties of 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine?
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 105404480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).