1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C18H26N2S — CID 61453425

IUPAC1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-4-15-7-9-16(10-8-15)18(12-19)20(14(2)3)13-17-6-5-11-21-17/h5-11,14,18H,4,12-13,19H2,1-3H3
InChIKeySSEPYOBYXPGADQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.22
Rot. Bonds7

About 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61453425) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61453425
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-4-15-7-9-16(10-8-15)18(12-19)20(14(2)3)13-17-6-5-11-21-17/h5-11,14,18H,4,12-13,19H2,1-3H3
InChIKeySSEPYOBYXPGADQ-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)ethane-1,2-diamine
CID 61453349
(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 70906118
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66130211
1-(3-chloro-2-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487837
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453182
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61453425) is 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCc1ccc(C(CN)N(Cc2cccs2)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SSEPYOBYXPGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-15-7-9-16(10-8-15)18(12-19)20(14(2)3)13-17-6-5-11-21-17/h5-11,14,18H,4,12-13,19H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61453425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).