2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine

C15H25NOS — CID 103702080

IUPAC2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cccc(OC)c1)SC
InChIInChI=1S/C15H25NOS/c1-5-15(6-2,18-4)12-16-11-13-8-7-9-14(10-13)17-3/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyHZGYGVQUBMFFFQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.71
Rot. Bonds8

About 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine

2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine (PubChem CID 103702080) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
PubChem CID103702080
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cccc(OC)c1)SC
InChIInChI=1S/C15H25NOS/c1-5-15(6-2,18-4)12-16-11-13-8-7-9-14(10-13)17-3/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyHZGYGVQUBMFFFQ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
3-ethyl-N-[(3-methoxyphenyl)methyl]pentan-3-amine
CID 65039406
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103933089
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
3-(chloromethyl)-N-[(3-methoxyphenyl)methyl]pentan-3-amine
CID 65030147
2-methyl-2-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 103711426

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine (CID 103702080) is 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1cccc(OC)c1)SC.
What is the InChIKey of 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine?
The InChIKey is HZGYGVQUBMFFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-15(6-2,18-4)12-16-11-13-8-7-9-14(10-13)17-3/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine?
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103702080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).