N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

C16H22ClNO2 — CID 62486419

IUPACN-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OCC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C16H22ClNO2/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,7-8,12-14,18H,3-6,9-10H2,1H3
InChIKeyFVLQEVIRXPOGNH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.33
Rot. Bonds6

About N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62486419) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62486419
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OCC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C16H22ClNO2/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,7-8,12-14,18H,3-6,9-10H2,1H3
InChIKeyFVLQEVIRXPOGNH-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459550
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460153
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62453151
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558731
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62784526
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62459378

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62486419) is N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is Cc1ccc(Cl)c(OCC2CCC(CNC3CC3)O2)c1.
What is the InChIKey of N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is FVLQEVIRXPOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,7-8,12-14,18H,3-6,9-10H2,1H3.
What are the key properties of N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 295.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62486419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).