1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine

C16H20ClNOS — CID 65124391

IUPAC1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C16H20ClNOS/c1-3-14(18)16(15-9-4-11(2)20-15)19-10-12-5-7-13(17)8-6-12/h4-9,14,16H,3,10,18H2,1-2H3
InChIKeyDEEVQLJWVRIIDO-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.71
Rot. Bonds6

About 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine

1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine (PubChem CID 65124391) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
PubChem CID65124391
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C16H20ClNOS/c1-3-14(18)16(15-9-4-11(2)20-15)19-10-12-5-7-13(17)8-6-12/h4-9,14,16H,3,10,18H2,1-2H3
InChIKeyDEEVQLJWVRIIDO-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 65125066
1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63536892
[2-(4-chlorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105197622
1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63458965
1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63406369
4-[2-amino-1-(5-methylthiophen-2-yl)butoxy]-3-fluorobenzonitrile
CID 107670285
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
CID 55014860
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine (CID 65124391) is 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OCc1ccc(Cl)cc1)c1ccc(C)s1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine?
The InChIKey is DEEVQLJWVRIIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-14(18)16(15-9-4-11(2)20-15)19-10-12-5-7-13(17)8-6-12/h4-9,14,16H,3,10,18H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine?
1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 65124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).