N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine

C17H18ClNOS — CID 63805453

IUPACN-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(Sc2cccc(Cl)c2CNC2CC2)cc1
InChIInChI=1S/C17H18ClNOS/c1-20-13-7-9-14(10-8-13)21-17-4-2-3-16(18)15(17)11-19-12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3
InChIKeyZNHWOOXNUKFQKH-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.75
Rot. Bonds6

About N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 63805453) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID63805453
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(Sc2cccc(Cl)c2CNC2CC2)cc1
InChIInChI=1S/C17H18ClNOS/c1-20-13-7-9-14(10-8-13)21-17-4-2-3-16(18)15(17)11-19-12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3
InChIKeyZNHWOOXNUKFQKH-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63804574
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807191
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805748
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
CID 59509334
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine (CID 63805453) is N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine is COc1ccc(Sc2cccc(Cl)c2CNC2CC2)cc1.
What is the InChIKey of N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is ZNHWOOXNUKFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-20-13-7-9-14(10-8-13)21-17-4-2-3-16(18)15(17)11-19-12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3.
What are the key properties of N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 319.86 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63805453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).