2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine

C17H27NO — CID 114471737

IUPAC2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C17H27NO/c1-13(2)10-11-19-16-14(3)8-7-9-15(16)12-18-17(4,5)6/h7-9,18H,1,10-12H2,2-6H3
InChIKeyJUPUPDSKADWBPK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

About 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 114471737) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
PubChem CID114471737
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C17H27NO/c1-13(2)10-11-19-16-14(3)8-7-9-15(16)12-18-17(4,5)6/h7-9,18H,1,10-12H2,2-6H3
InChIKeyJUPUPDSKADWBPK-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114471631
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine (CID 114471737) is 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine is C=C(C)CCOc1c(C)cccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is JUPUPDSKADWBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)10-11-19-16-14(3)8-7-9-15(16)12-18-17(4,5)6/h7-9,18H,1,10-12H2,2-6H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114471737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).