2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine

C15H25NO3 — CID 116925195

IUPAC2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
SMILESCOc1cc(OC)c(OC)cc1CCC(C)(C)CN
InChIInChI=1S/C15H25NO3/c1-15(2,10-16)7-6-11-8-13(18-4)14(19-5)9-12(11)17-3/h8-9H,6-7,10,16H2,1-5H3
InChIKeyQAXDEBYPTAEIKS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.63
Rot. Bonds7

About 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine

2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine (PubChem CID 116925195) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
PubChem CID116925195
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
SMILESCOc1cc(OC)c(OC)cc1CCC(C)(C)CN
InChIInChI=1S/C15H25NO3/c1-15(2,10-16)7-6-11-8-13(18-4)14(19-5)9-12(11)17-3/h8-9H,6-7,10,16H2,1-5H3
InChIKeyQAXDEBYPTAEIKS-UHFFFAOYSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
1-(2-chloroethyl)-2,4,5-trimethoxybenzene
CID 64867522
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377
2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine
CID 171534516
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine (CID 116925195) is 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine is COc1cc(OC)c(OC)cc1CCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine?
The InChIKey is QAXDEBYPTAEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,10-16)7-6-11-8-13(18-4)14(19-5)9-12(11)17-3/h8-9H,6-7,10,16H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine?
2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 116925195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).