N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C18H26N2S — CID 62430658

IUPACN-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(C)C(C)c1cccs1
InChIInChI=1S/C18H26N2S/c1-4-12-19-14-17(16-9-6-5-7-10-16)20(3)15(2)18-11-8-13-21-18/h5-11,13,15,17,19H,4,12,14H2,1-3H3
InChIKeyLJJQOUSNXMOUEM-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.48
Rot. Bonds8

About N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62430658) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62430658
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(C)C(C)c1cccs1
InChIInChI=1S/C18H26N2S/c1-4-12-19-14-17(16-9-6-5-7-10-16)20(3)15(2)18-11-8-13-21-18/h5-11,13,15,17,19H,4,12,14H2,1-3H3
InChIKeyLJJQOUSNXMOUEM-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83055013
3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
CID 10409506
N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493768
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62417159
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
1-phenyl-N-propan-2-yl-N'-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426442

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62430658) is N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CCCNCC(c1ccccc1)N(C)C(C)c1cccs1.
What is the InChIKey of N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is LJJQOUSNXMOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-12-19-14-17(16-9-6-5-7-10-16)20(3)15(2)18-11-8-13-21-18/h5-11,13,15,17,19H,4,12,14H2,1-3H3.
What are the key properties of N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62430658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).