N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine

C12H18F3NO — CID 145352655

IUPACN,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine
SMILESCCC(C1=CC(OC(F)(F)F)=CCC1)N(C)C
InChIInChI=1S/C12H18F3NO/c1-4-11(16(2)3)9-6-5-7-10(8-9)17-12(13,14)15/h7-8,11H,4-6H2,1-3H3
InChIKeyQOWCXSYMNCZMAE-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.47
Rot. Bonds4

About N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine

N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine (PubChem CID 145352655) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine
PubChem CID145352655
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine
SMILESCCC(C1=CC(OC(F)(F)F)=CCC1)N(C)C
InChIInChI=1S/C12H18F3NO/c1-4-11(16(2)3)9-6-5-7-10(8-9)17-12(13,14)15/h7-8,11H,4-6H2,1-3H3
InChIKeyQOWCXSYMNCZMAE-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine;ethane
CID 145352654
(3Z,4E)-3-ethylidene-6-methoxy-N,N-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 166842181
1-methyl-4-[4-(trifluoromethoxy)benzene-5-id-1-yl]-3,6-dihydro-2H-pyridine;palladium
CID 176011670
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 123630450
N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
CID 145352646
ethane;N-[1-(3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-N-methylpropan-1-amine
CID 145352662
N-[1-(3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-N-methylpropan-1-amine
CID 145352663

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine (CID 145352655) is N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine is CCC(C1=CC(OC(F)(F)F)=CCC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine?
The InChIKey is QOWCXSYMNCZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-4-11(16(2)3)9-6-5-7-10(8-9)17-12(13,14)15/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine?
N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine is sourced from PubChem (CID 145352655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).