N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine

C15H21ClN2S — CID 114851568

IUPACN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CSCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H21ClN2S/c1-11-10-19-7-6-18(11)15-5-2-13(16)8-12(15)9-17-14-3-4-14/h2,5,8,11,14,17H,3-4,6-7,9-10H2,1H3
InChIKeyWMTKARJSXCQJBD-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.53
Rot. Bonds4

About N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114851568) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID114851568
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CSCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H21ClN2S/c1-11-10-19-7-6-18(11)15-5-2-13(16)8-12(15)9-17-14-3-4-14/h2,5,8,11,14,17H,3-4,6-7,9-10H2,1H3
InChIKeyWMTKARJSXCQJBD-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
4-[2-(bromomethyl)-5-chlorophenyl]-3-methylthiomorpholine
CID 107083869
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114851124
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
(E)-3-[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]prop-2-enoic acid
CID 114858534
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine (CID 114851568) is N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine is CC1CSCCN1c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WMTKARJSXCQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c1-11-10-19-7-6-18(11)15-5-2-13(16)8-12(15)9-17-14-3-4-14/h2,5,8,11,14,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 296.87 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).