2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C12H18ClFN2 — CID 115132726

IUPAC2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C12H18ClFN2/c1-12(2,8-15-3)16-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,7-8H2,1-3H3
InChIKeyRKBNCYMCCLBVGV-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.57
Rot. Bonds5

About 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132726) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132726
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC Name2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C12H18ClFN2/c1-12(2,8-15-3)16-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,7-8H2,1-3H3
InChIKeyRKBNCYMCCLBVGV-UHFFFAOYSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
CID 177195909
2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132718
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
3-N-[(2,5-difluorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134701
2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
N-[(5-chloro-2-fluorophenyl)methyl]-3-oxobutanamide
CID 115176410
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132726) is 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCc1cc(Cl)ccc1F.
What is the InChIKey of 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is RKBNCYMCCLBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2/c1-12(2,8-15-3)16-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,7-8H2,1-3H3.
What are the key properties of 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 244.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).