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

C15H18ClFN2OS — CID 65096619

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2ccc(Cl)s2)cc1F
InChIInChI=1S/C15H18ClFN2OS/c1-19(9-11-4-6-15(16)21-11)13(8-18)10-3-5-14(20-2)12(17)7-10/h3-7,13H,8-9,18H2,1-2H3
InChIKeyBCOYPLNBUZBXEV-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.68
Rot. Bonds6

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

N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 65096619) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID65096619
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2ccc(Cl)s2)cc1F
InChIInChI=1S/C15H18ClFN2OS/c1-19(9-11-4-6-15(16)21-11)13(8-18)10-3-5-14(20-2)12(17)7-10/h3-7,13H,8-9,18H2,1-2H3
InChIKeyBCOYPLNBUZBXEV-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438832
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 61438444
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985642
[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303967
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 61438735
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chloro-4-fluorophenyl)-N-methylethane-1,2-diamine
CID 81145038
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 65021970
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-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine (CID 65096619) is N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine is COc1ccc(C(CN)N(C)Cc2ccc(Cl)s2)cc1F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is BCOYPLNBUZBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2OS/c1-19(9-11-4-6-15(16)21-11)13(8-18)10-3-5-14(20-2)12(17)7-10/h3-7,13H,8-9,18H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 328.84 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 65096619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).