N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine

C14H15ClF2N2S — CID 61438832

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccc(Cl)s1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15ClF2N2S/c1-19(8-10-3-5-14(15)20-10)13(7-18)9-2-4-11(16)12(17)6-9/h2-6,13H,7-8,18H2,1H3
InChIKeyOVTPWERUZOZEOU-UHFFFAOYSA-N
MW316.80 g/mol
LogP3.81
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 61438832) has the molecular formula C14H15ClF2N2S and a molecular weight of 316.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID61438832
Molecular FormulaC14H15ClF2N2S
Molecular Weight316.80 g/mol
Exact Mass316.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccc(Cl)s1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15ClF2N2S/c1-19(8-10-3-5-14(15)20-10)13(7-18)9-2-4-11(16)12(17)6-9/h2-6,13H,7-8,18H2,1H3
InChIKeyOVTPWERUZOZEOU-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 65096619
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 61438444
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chloro-4-fluorophenyl)-N-methylethane-1,2-diamine
CID 81145038
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 61438735
1-(4-bromo-3-fluorophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 81436423
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 81146223
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine (CID 61438832) is N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccc(Cl)s1)C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is OVTPWERUZOZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2S/c1-19(8-10-3-5-14(15)20-10)13(7-18)9-2-4-11(16)12(17)6-9/h2-6,13H,7-8,18H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 316.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61438832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).