N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine

C17H27NO3 — CID 79343823

IUPACN-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccc(C=C(C)CNC(C)(C)C)c(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-12(11-18-17(2,3)4)10-13-8-9-14(19-5)16(21-7)15(13)20-6/h8-10,18H,11H2,1-7H3
InChIKeyUUDGRYXCMIYACY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds6

About N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine

N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79343823) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79343823
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccc(C=C(C)CNC(C)(C)C)c(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-12(11-18-17(2,3)4)10-13-8-9-14(19-5)16(21-7)15(13)20-6/h8-10,18H,11H2,1-7H3
InChIKeyUUDGRYXCMIYACY-UHFFFAOYSA-N
XLogP3.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 73071521
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
1-[2-(bromomethyl)but-1-enyl]-2,3,4-trimethoxybenzene
CID 79324290
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
(E)-N-tert-butyl-2-oxo-4-(2,3,4-trimethoxyphenyl)but-3-enamide
CID 56683429
N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
CID 79330031
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
3-(3-methoxy-2-propan-2-yloxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340211
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine (CID 79343823) is N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine is COc1ccc(C=C(C)CNC(C)(C)C)c(OC)c1OC.
What is the InChIKey of N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is UUDGRYXCMIYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(11-18-17(2,3)4)10-13-8-9-14(19-5)16(21-7)15(13)20-6/h8-10,18H,11H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine?
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79343823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).