1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

C12H18ClNOS — CID 107360044

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1sccc1Cl)C1(C)CCCCO1
InChIInChI=1S/C12H18ClNOS/c1-12(6-3-4-7-15-12)11(14-2)10-9(13)5-8-16-10/h5,8,11,14H,3-4,6-7H2,1-2H3
InChIKeyILYZKRDUSXIHNV-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (PubChem CID 107360044) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
PubChem CID107360044
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1sccc1Cl)C1(C)CCCCO1
InChIInChI=1S/C12H18ClNOS/c1-12(6-3-4-7-15-12)11(14-2)10-9(13)5-8-16-10/h5,8,11,14H,3-4,6-7H2,1-2H3
InChIKeyILYZKRDUSXIHNV-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 114269056
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
[(2-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105250846
1-(3-chlorothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)-N-methylmethanamine
CID 80528929
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708423
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 103433754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (CID 107360044) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is CNC(c1sccc1Cl)C1(C)CCCCO1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The InChIKey is ILYZKRDUSXIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-12(6-3-4-7-15-12)11(14-2)10-9(13)5-8-16-10/h5,8,11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine has a molecular weight of 259.80 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 107360044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).