N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C18H24N2S — CID 79970542

IUPACN'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1cccc(C2CC2)c1)c1cccs1
InChIInChI=1S/C18H24N2S/c1-20(2)17(18-7-4-10-21-18)13-19-12-14-5-3-6-16(11-14)15-8-9-15/h3-7,10-11,15,17,19H,8-9,12-13H2,1-2H3
InChIKeyMFGLJRXAIQCIGY-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.02
Rot. Bonds7

About N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 79970542) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID79970542
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1cccc(C2CC2)c1)c1cccs1
InChIInChI=1S/C18H24N2S/c1-20(2)17(18-7-4-10-21-18)13-19-12-14-5-3-6-16(11-14)15-8-9-15/h3-7,10-11,15,17,19H,8-9,12-13H2,1-2H3
InChIKeyMFGLJRXAIQCIGY-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
N'-[(4-bromo-3-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 66472183
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
N'-(1,3-benzodioxol-4-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43583717
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol
CID 78959189

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 79970542) is N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCc1cccc(C2CC2)c1)c1cccs1.
What is the InChIKey of N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is MFGLJRXAIQCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-20(2)17(18-7-4-10-21-18)13-19-12-14-5-3-6-16(11-14)15-8-9-15/h3-7,10-11,15,17,19H,8-9,12-13H2,1-2H3.
What are the key properties of N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 300.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 79970542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).