N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine

C17H29NO3 — CID 62266219

IUPACN-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1c(OC)cc(CNCC)cc1OC
InChIInChI=1S/C17H29NO3/c1-6-8-13(3)12-21-17-15(19-4)9-14(11-18-7-2)10-16(17)20-5/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyQJZNGOPFMMHUPL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.63
Rot. Bonds10

About N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine

N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 62266219) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID62266219
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCCC(C)COc1c(OC)cc(CNCC)cc1OC
InChIInChI=1S/C17H29NO3/c1-6-8-13(3)12-21-17-15(19-4)9-14(11-18-7-2)10-16(17)20-5/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyQJZNGOPFMMHUPL-UHFFFAOYSA-N
XLogP3.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 62104364
3,5-dimethoxy-4-(2-methylpentoxy)benzoic acid
CID 62265882
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
N-[[3-(2-methylpentoxy)-4-nitrophenyl]methyl]ethanamine
CID 62264999
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
CID 79884084
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine (CID 62266219) is N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine is CCCC(C)COc1c(OC)cc(CNCC)cc1OC.
What is the InChIKey of N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is QJZNGOPFMMHUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-8-13(3)12-21-17-15(19-4)9-14(11-18-7-2)10-16(17)20-5/h9-10,13,18H,6-8,11-12H2,1-5H3.
What are the key properties of N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine?
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62266219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).