2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine

C15H25FN2 — CID 107128883

IUPAC2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C15H25FN2/c1-6-18(7-2)15(4,5)14(17)12-9-8-11(3)13(16)10-12/h8-10,14H,6-7,17H2,1-5H3
InChIKeyFJWOWVGBTXNQNF-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.25
Rot. Bonds5

About 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine

2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 107128883) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
PubChem CID107128883
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C15H25FN2/c1-6-18(7-2)15(4,5)14(17)12-9-8-11(3)13(16)10-12/h8-10,14H,6-7,17H2,1-5H3
InChIKeyFJWOWVGBTXNQNF-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789
(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171312332
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 107128890
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128759
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine (CID 107128883) is 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1ccc(C)c(F)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is FJWOWVGBTXNQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-18(7-2)15(4,5)14(17)12-9-8-11(3)13(16)10-12/h8-10,14H,6-7,17H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 107128883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).