2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine

C18H29NO — CID 105351341

IUPAC2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
SMILESC=C(C)CCOCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-15(2)11-13-20-14-17-8-6-16(7-9-17)10-12-19-18(3,4)5/h6-9,19H,1,10-14H2,2-5H3
InChIKeyJVAYFIBKTNVJTP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds8

About 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 105351341) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID105351341
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
SMILESC=C(C)CCOCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-15(2)11-13-20-14-17-8-6-16(7-9-17)10-12-19-18(3,4)5/h6-9,19H,1,10-14H2,2-5H3
InChIKeyJVAYFIBKTNVJTP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
1-chloro-4-[2-(3-methylbut-3-enoxy)ethyl]benzene
CID 142585540
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
CID 66259222
8-methylnon-8-enoxymethylbenzene
CID 10776845
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine (CID 105351341) is 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine is C=C(C)CCOCc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is JVAYFIBKTNVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)11-13-20-14-17-8-6-16(7-9-17)10-12-19-18(3,4)5/h6-9,19H,1,10-14H2,2-5H3.
What are the key properties of 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105351341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).