1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine

C12H20FNO — CID 145467293

IUPAC1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(C1=CCC(C)(C)C=C1)C(N)CF
InChIInChI=1S/C12H20FNO/c1-12(2)6-4-9(5-7-12)11(15-3)10(14)8-13/h4-6,10-11H,7-8,14H2,1-3H3
InChIKeyPNAUNBSVZYMYPQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine

1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine (PubChem CID 145467293) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
PubChem CID145467293
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(C1=CCC(C)(C)C=C1)C(N)CF
InChIInChI=1S/C12H20FNO/c1-12(2)6-4-9(5-7-12)11(15-3)10(14)8-13/h4-6,10-11H,7-8,14H2,1-3H3
InChIKeyPNAUNBSVZYMYPQ-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
CID 129313080
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(4E)-1-fluoro-3-methoxy-4-[(Z)-3-(oxan-4-yl)prop-1-enyl]hepta-4,6-dien-2-amine
CID 129313626
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631
(3Z,5E)-5-(2-amino-3-fluoro-1-methoxypropyl)octa-3,5,7-trien-1-ol
CID 143418356
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
1-(1,6-Dimethylphenoxy)-2-aminopropane
CID 129724544
(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine
CID 143418433
6-Methoxy-4,5,6-trimethylcyclohexa-2,4-dien-1-amine
CID 22065600
1-(1-Ethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 70059595
1-(6-Methoxy-6,7-dihydronaphthalen-2-yl)propan-2-amine
CID 70917892
6-Methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 123874139

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine (CID 145467293) is 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine is COC(C1=CCC(C)(C)C=C1)C(N)CF.
What is the InChIKey of 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine?
The InChIKey is PNAUNBSVZYMYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-12(2)6-4-9(5-7-12)11(15-3)10(14)8-13/h4-6,10-11H,7-8,14H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine?
1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine is sourced from PubChem (CID 145467293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).