N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine

C17H27NO3 — CID 63936014

IUPACN-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC2CCOCC2)c(CNCC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)11-18-12-14-10-16(19-3)4-5-17(14)21-15-6-8-20-9-7-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3
InChIKeyJHVPVMCYYDZYDQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds7

About N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63936014) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63936014
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC2CCOCC2)c(CNCC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)11-18-12-14-10-16(19-3)4-5-17(14)21-15-6-8-20-9-7-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3
InChIKeyJHVPVMCYYDZYDQ-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
2-methyl-N-[[5-nitro-2-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63557350
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64748456
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63936014) is N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine is COc1ccc(OC2CCOCC2)c(CNCC(C)C)c1.
What is the InChIKey of N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JHVPVMCYYDZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)11-18-12-14-10-16(19-3)4-5-17(14)21-15-6-8-20-9-7-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63936014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).