[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine

C13H19ClN2S — CID 102663098

IUPAC[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2Cl)CCS1
InChIInChI=1S/C13H19ClN2S/c1-10-8-16(4-5-17-10)9-12-3-2-11(7-15)6-13(12)14/h2-3,6,10H,4-5,7-9,15H2,1H3
InChIKeyBZPOEPFLIURWKG-UHFFFAOYSA-N
MW270.83 g/mol
LogP2.74
Rot. Bonds3

About [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine

[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine (PubChem CID 102663098) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
PubChem CID102663098
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2Cl)CCS1
InChIInChI=1S/C13H19ClN2S/c1-10-8-16(4-5-17-10)9-12-3-2-11(7-15)6-13(12)14/h2-3,6,10H,4-5,7-9,15H2,1H3
InChIKeyBZPOEPFLIURWKG-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 102662894
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
3-[(2-methylthiomorpholin-4-yl)methyl]aniline
CID 115776981
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
4-methoxy-3-[(2-methylthiomorpholin-4-yl)methyl]benzonitrile
CID 115749596

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine (CID 102663098) is [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine is CC1CN(Cc2ccc(CN)cc2Cl)CCS1.
What is the InChIKey of [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine?
The InChIKey is BZPOEPFLIURWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-10-8-16(4-5-17-10)9-12-3-2-11(7-15)6-13(12)14/h2-3,6,10H,4-5,7-9,15H2,1H3.
What are the key properties of [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine has a molecular weight of 270.83 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102663098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).