N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine

C13H14Cl3NO — CID 79168575

IUPACN-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
SMILESClC=C(Cl)COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C13H14Cl3NO/c14-6-10(15)8-18-13-4-1-9(5-12(13)16)7-17-11-2-3-11/h1,4-6,11,17H,2-3,7-8H2
InChIKeyYUNGVEKIIUQMIF-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.29
Rot. Bonds6

About N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine (PubChem CID 79168575) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
PubChem CID79168575
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC NameN-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
SMILESClC=C(Cl)COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C13H14Cl3NO/c14-6-10(15)8-18-13-4-1-9(5-12(13)16)7-17-11-2-3-11/h1,4-6,11,17H,2-3,7-8H2
InChIKeyYUNGVEKIIUQMIF-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664949
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[4-(2-chloroprop-2-enoxy)-3-nitrophenyl]methyl]cyclopropanamine
CID 60882380

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine (CID 79168575) is N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine is ClC=C(Cl)COc1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YUNGVEKIIUQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c14-6-10(15)8-18-13-4-1-9(5-12(13)16)7-17-11-2-3-11/h1,4-6,11,17H,2-3,7-8H2.
What are the key properties of N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 306.62 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79168575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).