N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine

C14H22F2N2 — CID 115204562

IUPACN-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCCc1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-14(2,6-7-17)10-18-8-5-11-3-4-12(15)9-13(11)16/h3-4,9,18H,5-8,10,17H2,1-2H3
InChIKeyYUZOSRWAFVXKCX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine

N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204562) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
PubChem CID115204562
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCCc1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-14(2,6-7-17)10-18-8-5-11-3-4-12(15)9-13(11)16/h3-4,9,18H,5-8,10,17H2,1-2H3
InChIKeyYUZOSRWAFVXKCX-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308385
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine (CID 115204562) is N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNCCc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine?
The InChIKey is YUZOSRWAFVXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-14(2,6-7-17)10-18-8-5-11-3-4-12(15)9-13(11)16/h3-4,9,18H,5-8,10,17H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine?
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).