N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine

C15H19ClN2S — CID 61438822

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccc(Cl)s1)CC(CN)c1ccccc1
InChIInChI=1S/C15H19ClN2S/c1-18(11-14-7-8-15(16)19-14)10-13(9-17)12-5-3-2-4-6-12/h2-8,13H,9-11,17H2,1H3
InChIKeyIOMYHGSMSQUWMH-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.58
Rot. Bonds6

About N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine

N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine (PubChem CID 61438822) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
PubChem CID61438822
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccc(Cl)s1)CC(CN)c1ccccc1
InChIInChI=1S/C15H19ClN2S/c1-18(11-14-7-8-15(16)19-14)10-13(9-17)12-5-3-2-4-6-12/h2-8,13H,9-11,17H2,1H3
InChIKeyIOMYHGSMSQUWMH-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017456
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997096
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-(methylamino)propanoic acid
CID 115256176

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine (CID 61438822) is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine is CN(Cc1ccc(Cl)s1)CC(CN)c1ccccc1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The InChIKey is IOMYHGSMSQUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-18(11-14-7-8-15(16)19-14)10-13(9-17)12-5-3-2-4-6-12/h2-8,13H,9-11,17H2,1H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine has a molecular weight of 294.85 g/mol, XLogP of 3.58, 6 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]-N'-methyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 61438822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).