1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine

C16H25F2N — CID 115849967

IUPAC1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2N/c1-5-19-13(8-9-16(2,3)4)10-12-6-7-14(17)15(18)11-12/h6-7,11,13,19H,5,8-10H2,1-4H3
InChIKeyGZQCMODGLQNHEK-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.31
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine

1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine (PubChem CID 115849967) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
PubChem CID115849967
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2N/c1-5-19-13(8-9-16(2,3)4)10-12-6-7-14(17)15(18)11-12/h6-7,11,13,19H,5,8-10H2,1-4H3
InChIKeyGZQCMODGLQNHEK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
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CID 82909863
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
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1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
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CID 107884533

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine (CID 115849967) is 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine is CCNC(CCC(C)(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The InChIKey is GZQCMODGLQNHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-5-19-13(8-9-16(2,3)4)10-12-6-7-14(17)15(18)11-12/h6-7,11,13,19H,5,8-10H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 115849967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).