N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine

C17H27NO3 — CID 43591754

IUPACN-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCC1CCCCO1
InChIInChI=1S/C17H27NO3/c1-13(2)18-11-14-7-8-16(17(10-14)19-3)21-12-15-6-4-5-9-20-15/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyFNRWZEMEFLYZQH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds7

About N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 43591754) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID43591754
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCC1CCCCO1
InChIInChI=1S/C17H27NO3/c1-13(2)18-11-14-7-8-16(17(10-14)19-3)21-12-15-6-4-5-9-20-15/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyFNRWZEMEFLYZQH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 43591754) is N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine is COc1cc(CNC(C)C)ccc1OCC1CCCCO1.
What is the InChIKey of N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is FNRWZEMEFLYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18-11-14-7-8-16(17(10-14)19-3)21-12-15-6-4-5-9-20-15/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 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-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43591754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).