2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine

C17H27NO2 — CID 63062650

IUPAC2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1cc(OCCC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h7-9,12,18H,2,6,10-11,13H2,1,3-5H3
InChIKeyPZKZHQSPZQAMBG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds8

About 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine

2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine (PubChem CID 63062650) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
PubChem CID63062650
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1cc(OCCC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h7-9,12,18H,2,6,10-11,13H2,1,3-5H3
InChIKeyPZKZHQSPZQAMBG-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63501385
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184
2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
CID 24770649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine (CID 63062650) is 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine is C=CCOc1cc(OCCC)ccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine?
The InChIKey is PZKZHQSPZQAMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h7-9,12,18H,2,6,10-11,13H2,1,3-5H3.
What are the key properties of 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine?
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63062650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).