1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C15H19NOS — CID 62048402

IUPAC1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C)s2)cc1
InChIInChI=1S/C15H19NOS/c1-11-4-9-15(18-11)10-16-12(2)13-5-7-14(17-3)8-6-13/h4-9,12,16H,10H2,1-3H3
InChIKeyYVBZKDUSKBGAQN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62048402) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62048402
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C)s2)cc1
InChIInChI=1S/C15H19NOS/c1-11-4-9-15(18-11)10-16-12(2)13-5-7-14(17-3)8-6-13/h4-9,12,16H,10H2,1-3H3
InChIKeyYVBZKDUSKBGAQN-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258542
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836706
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62048402) is 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is COc1ccc(C(C)NCc2ccc(C)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YVBZKDUSKBGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-4-9-15(18-11)10-16-12(2)13-5-7-14(17-3)8-6-13/h4-9,12,16H,10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62048402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).