1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine

C16H21NOS — CID 55018719

IUPAC1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
SMILESCc1ccccc1C(OCCc1cccs1)C(C)N
InChIInChI=1S/C16H21NOS/c1-12-6-3-4-8-15(12)16(13(2)17)18-10-9-14-7-5-11-19-14/h3-8,11,13,16H,9-10,17H2,1-2H3
InChIKeyVWVLCSLENYWHCE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.70
Rot. Bonds6

About 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine

1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine (PubChem CID 55018719) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
PubChem CID55018719
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
SMILESCc1ccccc1C(OCCc1cccs1)C(C)N
InChIInChI=1S/C16H21NOS/c1-12-6-3-4-8-15(12)16(13(2)17)18-10-9-14-7-5-11-19-14/h3-8,11,13,16H,9-10,17H2,1-2H3
InChIKeyVWVLCSLENYWHCE-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55017191
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
CID 82004722
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
2-[4-bromo-3-(2-methylphenyl)butyl]thiophene
CID 79418362
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
1-N-methyl-1-(2-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472040
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453349
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine (CID 55018719) is 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine is Cc1ccccc1C(OCCc1cccs1)C(C)N.
What is the InChIKey of 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The InChIKey is VWVLCSLENYWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-3-4-8-15(12)16(13(2)17)18-10-9-14-7-5-11-19-14/h3-8,11,13,16H,9-10,17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine is sourced from PubChem (CID 55018719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).