1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine

C12H21NO2 — CID 134811472

IUPAC1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine
SMILESCOC1=C(CC(C)N)C=CC(C)(OC)C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-10-5-6-12(2,15-4)8-11(10)14-3/h5-6,9H,7-8,13H2,1-4H3
InChIKeyXQNVJDBMUMYGNM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine

1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine (PubChem CID 134811472) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine
PubChem CID134811472
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine
SMILESCOC1=C(CC(C)N)C=CC(C)(OC)C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-10-5-6-12(2,15-4)8-11(10)14-3/h5-6,9H,7-8,13H2,1-4H3
InChIKeyXQNVJDBMUMYGNM-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethoxyphenethylamine
CID 129844566
(r)-2,4-Dimethoxy-4-iodoamphetamine
CID 164885996
2,5-Dimethoxy-5-methylamphetamine
CID 129703160
1-(1,5-Dimethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 68002026
(1S)-1-(1,5-dimethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 68002027
(1R)-1-(1,5-dimethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 68002028
5-(2-Methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
CID 123645511
6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine
CID 142808388
(1R)-1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 144365669
2-(1,5-Dimethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 153894107
(1,4,5-Trimethoxycyclohexa-2,4-dien-1-yl)methanamine
CID 154416130
(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine
CID 165123596

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine (CID 134811472) is 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine is COC1=C(CC(C)N)C=CC(C)(OC)C1.
What is the InChIKey of 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine?
The InChIKey is XQNVJDBMUMYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(13)7-10-5-6-12(2,15-4)8-11(10)14-3/h5-6,9H,7-8,13H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine?
1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-4-methylcyclohexa-1,5-dien-1-yl)propan-2-amine is sourced from PubChem (CID 134811472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).