N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

C16H21NOS — CID 55012623

IUPACN-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(OCCNC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-12-5-4-6-15(11-12)18-10-9-17-14(3)16-8-7-13(2)19-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyYABCTVDMDSECEU-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 55012623) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID55012623
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(OCCNC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-12-5-4-6-15(11-12)18-10-9-17-14(3)16-8-7-13(2)19-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyYABCTVDMDSECEU-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 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 ≤ 54.09
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

(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97232073
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55012483
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 55012623) is N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1cccc(OCCNC(C)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is YABCTVDMDSECEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-5-4-6-15(11-12)18-10-9-17-14(3)16-8-7-13(2)19-16/h4-8,11,14,17H,9-10H2,1-3H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 55012623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).