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

C16H25NO — CID 114471605

IUPAC2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-13(2)9-10-18-15-8-6-7-14(11-15)12-17-16(3,4)5/h6-8,11,17H,1,9-10,12H2,2-5H3
InChIKeyZGCQDOXQCLWXKI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds6

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

2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 114471605) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
PubChem CID114471605
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-13(2)9-10-18-15-8-6-7-14(11-15)12-17-16(3,4)5/h6-8,11,17H,1,9-10,12H2,2-5H3
InChIKeyZGCQDOXQCLWXKI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
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-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine (CID 114471605) is 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine is C=C(C)CCOc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is ZGCQDOXQCLWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)9-10-18-15-8-6-7-14(11-15)12-17-16(3,4)5/h6-8,11,17H,1,9-10,12H2,2-5H3.
What are the key properties of 2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 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-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114471605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).