N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine

C21H29NO4 — CID 12926477

IUPACN-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
SMILESCCC(COCc1cc(OC)c(OC)c(OC)c1)(NC)c1ccccc1
InChIInChI=1S/C21H29NO4/c1-6-21(22-2,17-10-8-7-9-11-17)15-26-14-16-12-18(23-3)20(25-5)19(13-16)24-4/h7-13,22H,6,14-15H2,1-5H3
InChIKeyAJWXAEGSPFCXQR-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.75
Rot. Bonds10

About N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine

N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine (PubChem CID 12926477) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
PubChem CID12926477
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC NameN-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
SMILESCCC(COCc1cc(OC)c(OC)c(OC)c1)(NC)c1ccccc1
InChIInChI=1S/C21H29NO4/c1-6-21(22-2,17-10-8-7-9-11-17)15-26-14-16-12-18(23-3)20(25-5)19(13-16)24-4/h7-13,22H,6,14-15H2,1-5H3
InChIKeyAJWXAEGSPFCXQR-UHFFFAOYSA-N
XLogP3.75
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate;hydrochloride
CID 175674676
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016
[2-(methylamino)-2-phenylpent-4-enyl] 3,4,5-trimethoxybenzoate
CID 89313647
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine
CID 14650058
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
bis[2-(dimethylamino)-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butyl] (Z)-but-2-enedioate
CID 70523801
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine?
The IUPAC name of N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine (CID 12926477) is N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine.
What is the SMILES notation for N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine?
The canonical SMILES for N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine is CCC(COCc1cc(OC)c(OC)c(OC)c1)(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine?
The InChIKey is AJWXAEGSPFCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-6-21(22-2,17-10-8-7-9-11-17)15-26-14-16-12-18(23-3)20(25-5)19(13-16)24-4/h7-13,22H,6,14-15H2,1-5H3.
What are the key properties of N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine?
N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine has a molecular weight of 359.47 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine is sourced from PubChem (CID 12926477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).