N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine

C20H27NO2 — CID 67796874

IUPACN-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(OCc2ccccc2)c1)OC
InChIInChI=1S/C20H27NO2/c1-4-10-21-20(22-3)14-18-11-16(2)12-19(13-18)23-15-17-8-6-5-7-9-17/h5-9,11-13,20-21H,4,10,14-15H2,1-3H3
InChIKeyHYFDVZPBBVAPBA-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.09
Rot. Bonds9

About N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine

N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine (PubChem CID 67796874) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine
PubChem CID67796874
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(OCc2ccccc2)c1)OC
InChIInChI=1S/C20H27NO2/c1-4-10-21-20(22-3)14-18-11-16(2)12-19(13-18)23-15-17-8-6-5-7-9-17/h5-9,11-13,20-21H,4,10,14-15H2,1-3H3
InChIKeyHYFDVZPBBVAPBA-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
CID 10982342
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 113241380
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol
CID 164893153
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
1-phenylmethoxy-3-propylbenzene
CID 58977798

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine (CID 67796874) is N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)cc(OCc2ccccc2)c1)OC.
What is the InChIKey of N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is HYFDVZPBBVAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-10-21-20(22-3)14-18-11-16(2)12-19(13-18)23-15-17-8-6-5-7-9-17/h5-9,11-13,20-21H,4,10,14-15H2,1-3H3.
What are the key properties of N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine?
N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 67796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).