1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C15H25FN2 — CID 79704876

IUPAC1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(c1cc(C)cc(F)c1)C(C)(C)N(C)C
InChIInChI=1S/C15H25FN2/c1-7-17-14(15(3,4)18(5)6)12-8-11(2)9-13(16)10-12/h8-10,14,17H,7H2,1-6H3
InChIKeyNNBIQGPUZCCGSL-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.12
Rot. Bonds5

About 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 79704876) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID79704876
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(c1cc(C)cc(F)c1)C(C)(C)N(C)C
InChIInChI=1S/C15H25FN2/c1-7-17-14(15(3,4)18(5)6)12-8-11(2)9-13(16)10-12/h8-10,14,17H,7H2,1-6H3
InChIKeyNNBIQGPUZCCGSL-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416
1-N-ethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053417
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
1-N-ethyl-2-N,2-N,2-trimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79054197

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 79704876) is 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CCNC(c1cc(C)cc(F)c1)C(C)(C)N(C)C.
What is the InChIKey of 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is NNBIQGPUZCCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-7-17-14(15(3,4)18(5)6)12-8-11(2)9-13(16)10-12/h8-10,14,17H,7H2,1-6H3.
What are the key properties of 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).