1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H22N2S — CID 79984334

IUPAC1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-19(12-16-3-2-10-20-16)17(11-18)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13,17H,4-5,11-12,18H2,1H3
InChIKeyAVVXXJJFOATHQS-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 79984334) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID79984334
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-19(12-16-3-2-10-20-16)17(11-18)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13,17H,4-5,11-12,18H2,1H3
InChIKeyAVVXXJJFOATHQS-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527433
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 106817331

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 79984334) is 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(Cc1cccs1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is AVVXXJJFOATHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-19(12-16-3-2-10-20-16)17(11-18)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13,17H,4-5,11-12,18H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 286.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79984334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).