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

C17H25NO3 — CID 43591760

IUPACN-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCC1CCCCO1
InChIInChI=1S/C17H25NO3/c1-19-16-8-5-13(11-18-14-6-7-14)10-17(16)21-12-15-4-2-3-9-20-15/h5,8,10,14-15,18H,2-4,6-7,9,11-12H2,1H3
InChIKeyXDPHRPKOYRBIQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.90
Rot. Bonds7

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

N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43591760) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43591760
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCC1CCCCO1
InChIInChI=1S/C17H25NO3/c1-19-16-8-5-13(11-18-14-6-7-14)10-17(16)21-12-15-4-2-3-9-20-15/h5,8,10,14-15,18H,2-4,6-7,9,11-12H2,1H3
InChIKeyXDPHRPKOYRBIQE-UHFFFAOYSA-N
XLogP2.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43622408
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43591760) is N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine is COc1ccc(CNC2CC2)cc1OCC1CCCCO1.
What is the InChIKey of N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is XDPHRPKOYRBIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-8-5-13(11-18-14-6-7-14)10-17(16)21-12-15-4-2-3-9-20-15/h5,8,10,14-15,18H,2-4,6-7,9,11-12H2,1H3.
What are the key properties of N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43591760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).