N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H23ClF2N2 — CID 58563549

IUPACN'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(Cl)c(C(C)(F)F)c1
InChIInChI=1S/C15H23ClF2N2/c1-11-9-12(15(2,17)18)14(16)13(10-11)20(5)8-6-7-19(3)4/h9-10H,6-8H2,1-5H3
InChIKeyLAURMQMNTDHINS-UHFFFAOYSA-N
MW304.81 g/mol
LogP4.15
Rot. Bonds6

About N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 58563549) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID58563549
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC NameN'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(Cl)c(C(C)(F)F)c1
InChIInChI=1S/C15H23ClF2N2/c1-11-9-12(15(2,17)18)14(16)13(10-11)20(5)8-6-7-19(3)4/h9-10H,6-8H2,1-5H3
InChIKeyLAURMQMNTDHINS-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 58563549) is N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1cc(N(C)CCCN(C)C)c(Cl)c(C(C)(F)F)c1.
What is the InChIKey of N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LAURMQMNTDHINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClF2N2/c1-11-9-12(15(2,17)18)14(16)13(10-11)20(5)8-6-7-19(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 304.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-3-(1,1-difluoroethyl)-5-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 58563549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).