N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine

C14H24FNO — CID 143263466

IUPACN-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
SMILESCCN(C)CCCOC1=C(C)CCC(F)C=C1
InChIInChI=1S/C14H24FNO/c1-4-16(3)10-5-11-17-14-9-8-13(15)7-6-12(14)2/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyIVIVJOGKWPCBJS-UHFFFAOYSA-N
MW241.35 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine

N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine (PubChem CID 143263466) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
PubChem CID143263466
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
SMILESCCN(C)CCCOC1=C(C)CCC(F)C=C1
InChIInChI=1S/C14H24FNO/c1-4-16(3)10-5-11-17-14-9-8-13(15)7-6-12(14)2/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyIVIVJOGKWPCBJS-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3E,8E)-7,10-difluorodeca-3,5,8-trien-4-yl]oxy-N-methyl-N-propylpropan-1-amine
CID 139566255
(4E,6Z)-N,N,4,5-tetramethyl-3-[4-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-yl]oxynona-4,6,8-trien-1-amine
CID 142961733
3-(4-ethyl-7-fluorocyclohepta-1,3,5-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 143437546
3-(7-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 146247094
1-[2-(5-Fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
CID 143167676
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
N-methyl-3-[(3E,5E)-6-methylnona-1,3,5-trien-3-yl]oxy-N-propylpropan-1-amine
CID 141842638
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
CID 142169632
N,N-dimethyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-amine
CID 142554812
Ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
CID 143167675
(3Z,5Z,6Z)-N,N,4-trimethyl-5-[1-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ylidene]nona-3,6-dien-1-amine
CID 144226532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine (CID 143263466) is N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine is CCN(C)CCCOC1=C(C)CCC(F)C=C1.
What is the InChIKey of N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine?
The InChIKey is IVIVJOGKWPCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c1-4-16(3)10-5-11-17-14-9-8-13(15)7-6-12(14)2/h8-9,13H,4-7,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine?
N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine has a molecular weight of 241.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 143263466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).