3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol

C16H27NO4 — CID 103708140

IUPAC3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CCO)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-16(2,8-9-18)11-17-10-12-6-7-13(19-3)15(21-5)14(12)20-4/h6-7,17-18H,8-11H2,1-5H3
InChIKeyWNPNHNSRSMGHTR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.21
Rot. Bonds9

About 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol

3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol (PubChem CID 103708140) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
PubChem CID103708140
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CCO)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-16(2,8-9-18)11-17-10-12-6-7-13(19-3)15(21-5)14(12)20-4/h6-7,17-18H,8-11H2,1-5H3
InChIKeyWNPNHNSRSMGHTR-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 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 114941178
2,2,3-trimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 102610003
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857642
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 119138820
3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 79837719
N-[(2,3,4-trimethoxyphenyl)methyl]but-2-yn-1-amine
CID 115866344
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708139

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol (CID 103708140) is 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol is COc1ccc(CNCC(C)(C)CCO)c(OC)c1OC.
What is the InChIKey of 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is WNPNHNSRSMGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-16(2,8-9-18)11-17-10-12-6-7-13(19-3)15(21-5)14(12)20-4/h6-7,17-18H,8-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-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 3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).