1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine

C14H20F2N2 — CID 79070361

IUPAC1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C14H20F2N2/c1-18(2)14(5-3-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6,17H2,1-2H3
InChIKeyYQZOPHWNDUFLHI-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.84
Rot. Bonds3

About 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070361) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070361
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C14H20F2N2/c1-18(2)14(5-3-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6,17H2,1-2H3
InChIKeyYQZOPHWNDUFLHI-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79070361) is 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(C(N)c2cc(F)cc(F)c2)CCCC1.
What is the InChIKey of 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is YQZOPHWNDUFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18(2)14(5-3-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6,17H2,1-2H3.
What are the key properties of 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).