N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 43282801

IUPACN-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1C
InChIInChI=1S/C18H20ClNO/c1-12-5-3-7-17(13(12)2)21-18-8-4-6-16(19)15(18)11-20-14-9-10-14/h3-8,14,20H,9-11H2,1-2H3
InChIKeyCIDXBVCYCADTKE-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.00
Rot. Bonds5

About N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43282801) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43282801
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1C
InChIInChI=1S/C18H20ClNO/c1-12-5-3-7-17(13(12)2)21-18-8-4-6-16(19)15(18)11-20-14-9-10-14/h3-8,14,20H,9-11H2,1-2H3
InChIKeyCIDXBVCYCADTKE-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 63552228
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 63269312
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
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-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine (CID 43282801) is N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1C.
What is the InChIKey of N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is CIDXBVCYCADTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-5-3-7-17(13(12)2)21-18-8-4-6-16(19)15(18)11-20-14-9-10-14/h3-8,14,20H,9-11H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43282801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).