N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine

C18H23NO2 — CID 62016883

IUPACN-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(COc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-11-19-13-15-9-10-18(20-2)16(12-15)14-21-17-7-5-4-6-8-17/h4-10,12,19H,3,11,13-14H2,1-2H3
InChIKeyRJYZZUPPTICOKN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds8

About N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine

N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 62016883) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID62016883
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(COc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-11-19-13-15-9-10-18(20-2)16(12-15)14-21-17-7-5-4-6-8-17/h4-10,12,19H,3,11,13-14H2,1-2H3
InChIKeyRJYZZUPPTICOKN-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[[4-methoxy-3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 66276951
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861
N-[[4-methoxy-3-(propylsulfonylmethyl)phenyl]methyl]propan-1-amine
CID 64647084
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine (CID 62016883) is N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)c(COc2ccccc2)c1.
What is the InChIKey of N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is RJYZZUPPTICOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-11-19-13-15-9-10-18(20-2)16(12-15)14-21-17-7-5-4-6-8-17/h4-10,12,19H,3,11,13-14H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine?
N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62016883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).