1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine

C14H23NO2 — CID 61268710

IUPAC1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCCC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)7-8-17-14-9-13(16-4)6-5-12(14)10-15-3/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyDRDDWJXJSUCVMJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.84
Rot. Bonds7

About 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine

1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine (PubChem CID 61268710) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
PubChem CID61268710
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCCC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)7-8-17-14-9-13(16-4)6-5-12(14)10-15-3/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyDRDDWJXJSUCVMJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
1-[4-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylmethanamine
CID 116615036
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
6-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708799
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine (CID 61268710) is 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OCCC(C)C.
What is the InChIKey of 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine?
The InChIKey is DRDDWJXJSUCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)7-8-17-14-9-13(16-4)6-5-12(14)10-15-3/h5-6,9,11,15H,7-8,10H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine?
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61268710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).