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

C17H18ClNO — CID 43283118

IUPACN-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-2-5-14(10-12)20-17-7-3-6-16(18)15(17)11-19-13-8-9-13/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyWBUSFLCIEIOXLA-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.69
Rot. Bonds5

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

N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283118) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283118
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-2-5-14(10-12)20-17-7-3-6-16(18)15(17)11-19-13-8-9-13/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyWBUSFLCIEIOXLA-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 63552228
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
CID 63551219
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 63269312
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-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 43283118) is N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cccc(Oc2cccc(Cl)c2CNC2CC2)c1.
What is the InChIKey of N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is WBUSFLCIEIOXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-4-2-5-14(10-12)20-17-7-3-6-16(18)15(17)11-19-13-8-9-13/h2-7,10,13,19H,8-9,11H2,1H3.
What are the key properties of N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 287.79 g/mol, XLogP of 4.69, 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-(3-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).