2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine

C12H19FN2 — CID 61413577

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-3-12(8-14)15(2)9-10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyDYCSGIXHEBWRTD-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.99
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine (PubChem CID 61413577) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
PubChem CID61413577
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-3-12(8-14)15(2)9-10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyDYCSGIXHEBWRTD-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-silylpentan-3-amine
CID 174248167
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
tert-butyl N-[3-amino-2-[(4-fluorophenyl)methyl-methylamino]propyl]carbamate
CID 102729687
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
4-[[hexan-3-yl(methyl)amino]methyl]aniline
CID 143173998
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106817297
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine (CID 61413577) is 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine is CCC(CN)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The InChIKey is DYCSGIXHEBWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-12(8-14)15(2)9-10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 61413577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).