1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

C15H22F2N2 — CID 114544888

IUPAC1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3
InChIKeyPYVMTIBVNCFRGC-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.13
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544888) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544888
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3
InChIKeyPYVMTIBVNCFRGC-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544905
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544809
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 114544774
1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544833
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 114544966
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544888) is 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is PYVMTIBVNCFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).