N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine

C14H17Cl2NO — CID 114188741

IUPACN-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
SMILESC/C(=C/Cl)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H17Cl2NO/c1-10(7-15)9-18-14-4-2-3-13(16)12(14)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3/b10-7-
InChIKeyGVNCJSBSRJLRHU-YFHOEESVSA-N
MW286.20 g/mol
LogP4.11
Rot. Bonds6

About N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114188741) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
PubChem CID114188741
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
SMILESC/C(=C/Cl)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H17Cl2NO/c1-10(7-15)9-18-14-4-2-3-13(16)12(14)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3/b10-7-
InChIKeyGVNCJSBSRJLRHU-YFHOEESVSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine (CID 114188741) is N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine is C/C(=C/Cl)COc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is GVNCJSBSRJLRHU-YFHOEESVSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10(7-15)9-18-14-4-2-3-13(16)12(14)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3/b10-7-.
What are the key properties of N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 286.20 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114188741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).