1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine

C15H25NO3 — CID 62104186

IUPAC1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
SMILESCCC(C)COc1c(OC)cc(CNC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-11(2)10-19-15-13(17-4)7-12(9-16-3)8-14(15)18-5/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyIBDCMNCZBUMIMF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.85
Rot. Bonds8

About 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine

1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine (PubChem CID 62104186) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
PubChem CID62104186
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
SMILESCCC(C)COc1c(OC)cc(CNC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-11(2)10-19-15-13(17-4)7-12(9-16-3)8-14(15)18-5/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyIBDCMNCZBUMIMF-UHFFFAOYSA-N
XLogP2.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 62104364
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
1-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63929607
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 55204337
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine (CID 62104186) is 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine is CCC(C)COc1c(OC)cc(CNC)cc1OC.
What is the InChIKey of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine?
The InChIKey is IBDCMNCZBUMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-11(2)10-19-15-13(17-4)7-12(9-16-3)8-14(15)18-5/h7-8,11,16H,6,9-10H2,1-5H3.
What are the key properties of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine?
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62104186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).