N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

C14H23FN2 — CID 130434784

IUPACN-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC(C)c1cc(F)cc(NCCN(C)C)c1
InChIInChI=1S/C14H23FN2/c1-5-11(2)12-8-13(15)10-14(9-12)16-6-7-17(3)4/h8-11,16H,5-7H2,1-4H3
InChIKeyIPZRSMVKJJUYGF-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.31
Rot. Bonds6

About N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 130434784) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID130434784
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC(C)c1cc(F)cc(NCCN(C)C)c1
InChIInChI=1S/C14H23FN2/c1-5-11(2)12-8-13(15)10-14(9-12)16-6-7-17(3)4/h8-11,16H,5-7H2,1-4H3
InChIKeyIPZRSMVKJJUYGF-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
1-butan-2-yl-3-(difluoromethylsulfonyl)-5-fluorobenzene
CID 176956896
N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
CID 62809389
4-butan-2-yl-N-[(3,5-difluorophenyl)methyl]aniline
CID 106528332
1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
N-(3-fluoro-5-pentan-2-ylphenyl)acetamide
CID 155396943
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 170008911

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 130434784) is N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is CCC(C)c1cc(F)cc(NCCN(C)C)c1.
What is the InChIKey of N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IPZRSMVKJJUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-11(2)12-8-13(15)10-14(9-12)16-6-7-17(3)4/h8-11,16H,5-7H2,1-4H3.
What are the key properties of N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 130434784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).