2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine

C17H23NOS — CID 80526261

IUPAC2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NOS/c1-17(2,16-10-6-13-20-16)14-18-11-7-12-19-15-8-4-3-5-9-15/h3-6,8-10,13,18H,7,11-12,14H2,1-2H3
InChIKeyLLBYJANTMHFCQP-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.08
Rot. Bonds8

About 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine

2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526261) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID80526261
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NOS/c1-17(2,16-10-6-13-20-16)14-18-11-7-12-19-15-8-4-3-5-9-15/h3-6,8-10,13,18H,7,11-12,14H2,1-2H3
InChIKeyLLBYJANTMHFCQP-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.08
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

N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526264
2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile
CID 80526708
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
CID 60688858
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963178
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine (CID 80526261) is 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCCCOc1ccccc1)c1cccs1.
What is the InChIKey of 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is LLBYJANTMHFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-17(2,16-10-6-13-20-16)14-18-11-7-12-19-15-8-4-3-5-9-15/h3-6,8-10,13,18H,7,11-12,14H2,1-2H3.
What are the key properties of 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).