N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine

C11H14F3NO — CID 142930266

IUPACN-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
SMILESCCNCC1=CC=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C11H14F3NO/c1-2-15-8-9-4-3-5-10(7-6-9)16-11(12,13)14/h3,5-7,15H,2,4,8H2,1H3
InChIKeyGMWCILTWNMXJNQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.90
Rot. Bonds4

About N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine

N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine (PubChem CID 142930266) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
PubChem CID142930266
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
SMILESCCNCC1=CC=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C11H14F3NO/c1-2-15-8-9-4-3-5-10(7-6-9)16-11(12,13)14/h3,5-7,15H,2,4,8H2,1H3
InChIKeyGMWCILTWNMXJNQ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 143043496
Carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium
CID 166108129
N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 142837118
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-6-methylidene-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162592896
2-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylethanamine
CID 142207085
N-[(1S)-1-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 142256390
N-[(3,5-dimethoxycyclohepta-1,3,5-trien-1-yl)methyl]ethanamine;ethane
CID 142878219
(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
CID 143115327
1-(2-methoxycyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 144056528

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine (CID 142930266) is N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine is CCNCC1=CC=C(OC(F)(F)F)C=CC1.
What is the InChIKey of N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine?
The InChIKey is GMWCILTWNMXJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-15-8-9-4-3-5-10(7-6-9)16-11(12,13)14/h3,5-7,15H,2,4,8H2,1H3.
What are the key properties of N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine?
N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine is sourced from PubChem (CID 142930266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).