4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine

C15H20F3N — CID 65083616

IUPAC4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H20F3N/c1-2-10-4-3-5-11(7-6-10)19-12-8-13(16)15(18)14(17)9-12/h8-11,19H,2-7H2,1H3
InChIKeyIWQRPSKPNCBVGM-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.87
Rot. Bonds3

About 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine

4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine (PubChem CID 65083616) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
PubChem CID65083616
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H20F3N/c1-2-10-4-3-5-11(7-6-10)19-12-8-13(16)15(18)14(17)9-12/h8-11,19H,2-7H2,1H3
InChIKeyIWQRPSKPNCBVGM-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3,4,5-trifluoroaniline
CID 62810275
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
CID 55193534
3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
N-(3-bromo-5-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 82857383
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
1-methyl-N-(3,4,5-trifluorophenyl)azepan-4-amine
CID 65070702
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine (CID 65083616) is 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine is CCC1CCCC(Nc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine?
The InChIKey is IWQRPSKPNCBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-10-4-3-5-11(7-6-10)19-12-8-13(16)15(18)14(17)9-12/h8-11,19H,2-7H2,1H3.
What are the key properties of 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine?
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).