N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

C17H20ClNO2 — CID 62449854

IUPACN-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccoc1CNC1CC1
InChIInChI=1S/C17H20ClNO2/c1-11-7-14(18)8-12(2)17(11)21-10-13-5-6-20-16(13)9-19-15-3-4-15/h5-8,15,19H,3-4,9-10H2,1-2H3
InChIKeyZMBOIPYMCMSZRU-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.38
Rot. Bonds6

About N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62449854) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62449854
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccoc1CNC1CC1
InChIInChI=1S/C17H20ClNO2/c1-11-7-14(18)8-12(2)17(11)21-10-13-5-6-20-16(13)9-19-15-3-4-15/h5-8,15,19H,3-4,9-10H2,1-2H3
InChIKeyZMBOIPYMCMSZRU-UHFFFAOYSA-N
XLogP4.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62450029
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63497826
N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62449854) is N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1cc(Cl)cc(C)c1OCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZMBOIPYMCMSZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-7-14(18)8-12(2)17(11)21-10-13-5-6-20-16(13)9-19-15-3-4-15/h5-8,15,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 305.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62449854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).