1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine

C15H19ClN2S — CID 79426613

IUPAC1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)C(CN)c2cc(Cl)cs2)c1
InChIInChI=1S/C15H19ClN2S/c1-11-4-3-5-12(6-11)9-18(2)14(8-17)15-7-13(16)10-19-15/h3-7,10,14H,8-9,17H2,1-2H3
InChIKeySUANAJWWBRRSLN-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 79426613) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID79426613
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)C(CN)c2cc(Cl)cs2)c1
InChIInChI=1S/C15H19ClN2S/c1-11-4-3-5-12(6-11)9-18(2)14(8-17)15-7-13(16)10-19-15/h3-7,10,14H,8-9,17H2,1-2H3
InChIKeySUANAJWWBRRSLN-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413428
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 102838561
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 81146872
1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 79427944
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 79426613) is 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)C(CN)c2cc(Cl)cs2)c1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is SUANAJWWBRRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11-4-3-5-12(6-11)9-18(2)14(8-17)15-7-13(16)10-19-15/h3-7,10,14H,8-9,17H2,1-2H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 294.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79426613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).