2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C15H25FN2 — CID 115968005

IUPAC2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCc1ccc(F)cc1CNC(CN(C)C)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)15(10-18(4)5)17-9-13-8-14(16)7-6-12(13)3/h6-8,11,15,17H,9-10H2,1-5H3
InChIKeyTXSOHMLXZFGJEB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.81
Rot. Bonds6

About 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 115968005) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID115968005
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCc1ccc(F)cc1CNC(CN(C)C)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)15(10-18(4)5)17-9-13-8-14(16)7-6-12(13)3/h6-8,11,15,17H,9-10H2,1-5H3
InChIKeyTXSOHMLXZFGJEB-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-bromo-5-fluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54958788
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
2-N-[(3,5-difluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113338404
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
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1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 115968005) is 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is Cc1ccc(F)cc1CNC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is TXSOHMLXZFGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)15(10-18(4)5)17-9-13-8-14(16)7-6-12(13)3/h6-8,11,15,17H,9-10H2,1-5H3.
What are the key properties of 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 115968005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).