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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105412939
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79067030
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114521860

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).