N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine

C15H23NO — CID 79340694

IUPACN-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-16-11-13(4)9-14-7-6-8-15(10-14)17-12(2)3/h6-10,12,16H,5,11H2,1-4H3
InChIKeyDUGJJHYRPZEBJB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine

N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine (PubChem CID 79340694) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
PubChem CID79340694
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-16-11-13(4)9-14-7-6-8-15(10-14)17-12(2)3/h6-10,12,16H,5,11H2,1-4H3
InChIKeyDUGJJHYRPZEBJB-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
1-[2-(bromomethyl)but-1-enyl]-3-propan-2-yloxybenzene
CID 79323289
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103091447
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine (CID 79340694) is N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine is CCNCC(C)=Cc1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine?
The InChIKey is DUGJJHYRPZEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-11-13(4)9-14-7-6-8-15(10-14)17-12(2)3/h6-10,12,16H,5,11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine?
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79340694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).