N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine

C17H24N2OS — CID 65483111

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)C(CN)c1ccsc1
InChIInChI=1S/C17H24N2OS/c1-13(10-14-6-4-5-7-17(14)20-3)19(2)16(11-18)15-8-9-21-12-15/h4-9,12-13,16H,10-11,18H2,1-3H3
InChIKeyPTQCLSSSCSZBJT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 65483111) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID65483111
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)C(CN)c1ccsc1
InChIInChI=1S/C17H24N2OS/c1-13(10-14-6-4-5-7-17(14)20-3)19(2)16(11-18)15-8-9-21-12-15/h4-9,12-13,16H,10-11,18H2,1-3H3
InChIKeyPTQCLSSSCSZBJT-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine (CID 65483111) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine is COc1ccccc1CC(C)N(C)C(CN)c1ccsc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is PTQCLSSSCSZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(10-14-6-4-5-7-17(14)20-3)19(2)16(11-18)15-8-9-21-12-15/h4-9,12-13,16H,10-11,18H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 65483111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).