3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine

C11H17ClFN3 — CID 115119872

IUPAC3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(Cc1cc(Cl)ccc1F)CC(N)CN
InChIInChI=1S/C11H17ClFN3/c1-16(7-10(15)5-14)6-8-4-9(12)2-3-11(8)13/h2-4,10H,5-7,14-15H2,1H3
InChIKeyKPKZDAOGRJGHSZ-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.20
Rot. Bonds5

About 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine

3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine (PubChem CID 115119872) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
PubChem CID115119872
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(Cc1cc(Cl)ccc1F)CC(N)CN
InChIInChI=1S/C11H17ClFN3/c1-16(7-10(15)5-14)6-8-4-9(12)2-3-11(8)13/h2-4,10H,5-7,14-15H2,1H3
InChIKeyKPKZDAOGRJGHSZ-UHFFFAOYSA-N
XLogP1.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine (CID 115119872) is 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine is CN(Cc1cc(Cl)ccc1F)CC(N)CN.
What is the InChIKey of 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The InChIKey is KPKZDAOGRJGHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-16(7-10(15)5-14)6-8-4-9(12)2-3-11(8)13/h2-4,10H,5-7,14-15H2,1H3.
What are the key properties of 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine has a molecular weight of 245.73 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115119872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).