4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol

C16H27NO4 — CID 103701021

IUPAC4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(CCO)C(C)C
InChIInChI=1S/C16H27NO4/c1-11(2)13(6-7-18)17-10-12-8-15(20-4)16(21-5)9-14(12)19-3/h8-9,11,13,17-18H,6-7,10H2,1-5H3
InChIKeyQPNBOLJCVMHCQA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.21
Rot. Bonds9

About 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol

4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol (PubChem CID 103701021) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
PubChem CID103701021
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(CCO)C(C)C
InChIInChI=1S/C16H27NO4/c1-11(2)13(6-7-18)17-10-12-8-15(20-4)16(21-5)9-14(12)19-3/h8-9,11,13,17-18H,6-7,10H2,1-5H3
InChIKeyQPNBOLJCVMHCQA-UHFFFAOYSA-N
XLogP2.21
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol 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

2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
N-[(2,4,5-trimethoxyphenyl)methyl]heptan-2-amine
CID 43398782
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol
CID 103766012
4-ethylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115660533
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
3-[(4-methoxy-3-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 103700869

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol (CID 103701021) is 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol is COc1cc(OC)c(OC)cc1CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is QPNBOLJCVMHCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11(2)13(6-7-18)17-10-12-8-15(20-4)16(21-5)9-14(12)19-3/h8-9,11,13,17-18H,6-7,10H2,1-5H3.
What are the key properties of 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol?
4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103701021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).