2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine

C18H23FN2 — CID 79008800

IUPAC2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-3-18(14-20,13-15-8-5-4-6-9-15)21(2)17-11-7-10-16(19)12-17/h4-12H,3,13-14,20H2,1-2H3
InChIKeyIRYFXEZTRQOASR-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.61
Rot. Bonds6

About 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine

2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine (PubChem CID 79008800) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
PubChem CID79008800
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-3-18(14-20,13-15-8-5-4-6-9-15)21(2)17-11-7-10-16(19)12-17/h4-12H,3,13-14,20H2,1-2H3
InChIKeyIRYFXEZTRQOASR-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 63945546
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
2-benzyl-2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79008970
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine (CID 79008800) is 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(C)c1cccc(F)c1.
What is the InChIKey of 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is IRYFXEZTRQOASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-18(14-20,13-15-8-5-4-6-9-15)21(2)17-11-7-10-16(19)12-17/h4-12H,3,13-14,20H2,1-2H3.
What are the key properties of 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine?
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 79008800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).