N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

C16H21ClN2S — CID 79494320

IUPACN-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2S/c1-13(11-16-7-4-10-20-16)19(2)9-8-18-15-6-3-5-14(17)12-15/h3-7,10,12-13,18H,8-9,11H2,1-2H3
InChIKeyDEOSBOBXULMBHK-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.38
Rot. Bonds7

About N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 79494320) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID79494320
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC NameN-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2S/c1-13(11-16-7-4-10-20-16)19(2)9-8-18-15-6-3-5-14(17)12-15/h3-7,10,12-13,18H,8-9,11H2,1-2H3
InChIKeyDEOSBOBXULMBHK-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
CID 79476388
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (CID 79494320) is N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is CC(Cc1cccs1)N(C)CCNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is DEOSBOBXULMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-13(11-16-7-4-10-20-16)19(2)9-8-18-15-6-3-5-14(17)12-15/h3-7,10,12-13,18H,8-9,11H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 308.88 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79494320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).