1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

C17H29FN2 — CID 79063546

IUPAC1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(F)cc1C)C(C)(CC)N(C)C
InChIInChI=1S/C17H29FN2/c1-7-11-19-16(17(4,8-2)20(5)6)15-10-9-14(18)12-13(15)3/h9-10,12,16,19H,7-8,11H2,1-6H3
InChIKeyXETMBJGXHMSGMO-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.91
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 79063546) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
PubChem CID79063546
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(F)cc1C)C(C)(CC)N(C)C
InChIInChI=1S/C17H29FN2/c1-7-11-19-16(17(4,8-2)20(5)6)15-10-9-14(18)12-13(15)3/h9-10,12,16,19H,7-8,11H2,1-6H3
InChIKeyXETMBJGXHMSGMO-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (CID 79063546) is 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1ccc(F)cc1C)C(C)(CC)N(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is XETMBJGXHMSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-11-19-16(17(4,8-2)20(5)6)15-10-9-14(18)12-13(15)3/h9-10,12,16,19H,7-8,11H2,1-6H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79063546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).