N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine

C17H27NO3 — CID 61019678

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCOc1cc(CNCC2CCCOC2)ccc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)21-16-7-6-14(9-17(16)19-3)10-18-11-15-5-4-8-20-12-15/h6-7,9,13,15,18H,4-5,8,10-12H2,1-3H3
InChIKeyKNVCMIKIRNTDQX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds7

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 61019678) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID61019678
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCOc1cc(CNCC2CCCOC2)ccc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)21-16-7-6-14(9-17(16)19-3)10-18-11-15-5-4-8-20-12-15/h6-7,9,13,15,18H,4-5,8,10-12H2,1-3H3
InChIKeyKNVCMIKIRNTDQX-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

1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115587274
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
CID 54906782
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
1-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957485

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine (CID 61019678) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine is COc1cc(CNCC2CCCOC2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is KNVCMIKIRNTDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)21-16-7-6-14(9-17(16)19-3)10-18-11-15-5-4-8-20-12-15/h6-7,9,13,15,18H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine 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-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 61019678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).