N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine

C14H16Cl3NO2 — CID 104664949

IUPACN-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(Cl)cc(CNC2CC2)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C14H16Cl3NO2/c1-19-13-5-10(16)4-9(7-18-12-2-3-12)14(13)20-8-11(17)6-15/h4-6,12,18H,2-3,7-8H2,1H3/b11-6-
InChIKeyKDGLMXGZXMZQSM-WDZFZDKYSA-N
MW336.65 g/mol
LogP4.30
Rot. Bonds7

About N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine

N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 104664949) has the molecular formula C14H16Cl3NO2 and a molecular weight of 336.65 g/mol. Its IUPAC name is N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
PubChem CID104664949
Molecular FormulaC14H16Cl3NO2
Molecular Weight336.65 g/mol
Exact Mass335.02
IUPAC NameN-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(Cl)cc(CNC2CC2)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C14H16Cl3NO2/c1-19-13-5-10(16)4-9(7-18-12-2-3-12)14(13)20-8-11(17)6-15/h4-6,12,18H,2-3,7-8H2,1H3/b11-6-
InChIKeyKDGLMXGZXMZQSM-WDZFZDKYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664946
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645
4-[4-chloro-2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]butan-2-ol
CID 104664940
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[5-chloro-3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 104664947
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 79168575
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 79167417

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine (CID 104664949) is N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine is COc1cc(Cl)cc(CNC2CC2)c1OC/C(Cl)=C/Cl.
What is the InChIKey of N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is KDGLMXGZXMZQSM-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H16Cl3NO2/c1-19-13-5-10(16)4-9(7-18-12-2-3-12)14(13)20-8-11(17)6-15/h4-6,12,18H,2-3,7-8H2,1H3/b11-6-.
What are the key properties of N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 336.65 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104664949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).