N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C17H24N2OS — CID 80720105

IUPACN-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCCc1ccccn1
InChIInChI=1S/C17H24N2OS/c1-13(2)19-11-17-10-15(14(3)21-17)12-20-9-7-16-6-4-5-8-18-16/h4-6,8,10,13,19H,7,9,11-12H2,1-3H3
InChIKeyJCCCVZQGRJKYLA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.71
Rot. Bonds8

About N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80720105) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80720105
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCCc1ccccn1
InChIInChI=1S/C17H24N2OS/c1-13(2)19-11-17-10-15(14(3)21-17)12-20-9-7-16-6-4-5-8-18-16/h4-6,8,10,13,19H,7,9,11-12H2,1-3H3
InChIKeyJCCCVZQGRJKYLA-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80722894
N-methyl-1-[5-methyl-4-(2-pyridin-2-ylethoxymethyl)furan-2-yl]methanamine
CID 62456490
N-[[5-bromo-2-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290065
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 80722127
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80720105) is N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)C)cc1COCCc1ccccn1.
What is the InChIKey of N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is JCCCVZQGRJKYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(2)19-11-17-10-15(14(3)21-17)12-20-9-7-16-6-4-5-8-18-16/h4-6,8,10,13,19H,7,9,11-12H2,1-3H3.
What are the key properties of N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80720105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).