N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine

C14H17Cl2NO — CID 112609975

IUPACN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C14H17Cl2NO/c1-10-3-2-4-11(8-17-13-5-6-13)14(10)18-9-12(16)7-15/h2-4,7,13,17H,5-6,8-9H2,1H3/b12-7-
InChIKeySSBUOTPGGIFZFR-GHXNOFRVSA-N
MW286.20 g/mol
LogP3.94
Rot. Bonds6

About N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine

N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 112609975) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
PubChem CID112609975
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C14H17Cl2NO/c1-10-3-2-4-11(8-17-13-5-6-13)14(10)18-9-12(16)7-15/h2-4,7,13,17H,5-6,8-9H2,1H3/b12-7-
InChIKeySSBUOTPGGIFZFR-GHXNOFRVSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610162
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664949
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 115953990

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine (CID 112609975) is N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OC/C(Cl)=C/Cl.
What is the InChIKey of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is SSBUOTPGGIFZFR-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10-3-2-4-11(8-17-13-5-6-13)14(10)18-9-12(16)7-15/h2-4,7,13,17H,5-6,8-9H2,1H3/b12-7-.
What are the key properties of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 286.20 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112609975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).