N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

C14H21NO2 — CID 62331698

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-11(3)12-6-7-13(16-4)14(8-12)17-5/h6-8,11,15H,1,9H2,2-5H3
InChIKeyQPCUPRCJWBFAPU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 62331698) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID62331698
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-11(3)12-6-7-13(16-4)14(8-12)17-5/h6-8,11,15H,1,9H2,2-5H3
InChIKeyQPCUPRCJWBFAPU-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
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-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97334215
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (CID 62331698) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is QPCUPRCJWBFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-15-11(3)12-6-7-13(16-4)14(8-12)17-5/h6-8,11,15H,1,9H2,2-5H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62331698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).