1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H24N2S — CID 61453349

IUPAC1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccccc1C(CN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H24N2S/c1-13(2)19(12-15-8-6-10-20-15)17(11-18)16-9-5-4-7-14(16)3/h4-10,13,17H,11-12,18H2,1-3H3
InChIKeyVSJRCBLRFQLLHU-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61453349) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61453349
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccccc1C(CN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H24N2S/c1-13(2)19(12-15-8-6-10-20-15)17(11-18)16-9-5-4-7-14(16)3/h4-10,13,17H,11-12,18H2,1-3H3
InChIKeyVSJRCBLRFQLLHU-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487837
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453425
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453182
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66130211
1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55018719
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
CID 63583861

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61453349) is 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is Cc1ccccc1C(CN)N(Cc1cccs1)C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is VSJRCBLRFQLLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)19(12-15-8-6-10-20-15)17(11-18)16-9-5-4-7-14(16)3/h4-10,13,17H,11-12,18H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61453349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).