1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

C16H22F3NO — CID 115843446

IUPAC1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCC1(C(N)Cc2ccc(OC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C16H22F3NO/c1-2-15(9-3-4-10-15)14(20)11-12-5-7-13(8-6-12)21-16(17,18)19/h5-8,14H,2-4,9-11,20H2,1H3
InChIKeyRZJBFYNDZAEUSD-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.43
Rot. Bonds5

About 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115843446) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115843446
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCC1(C(N)Cc2ccc(OC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C16H22F3NO/c1-2-15(9-3-4-10-15)14(20)11-12-5-7-13(8-6-12)21-16(17,18)19/h5-8,14H,2-4,9-11,20H2,1H3
InChIKeyRZJBFYNDZAEUSD-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
1-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzene
CID 106798588
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 116710608
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 115843446) is 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is CCC1(C(N)Cc2ccc(OC(F)(F)F)cc2)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is RZJBFYNDZAEUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-15(9-3-4-10-15)14(20)11-12-5-7-13(8-6-12)21-16(17,18)19/h5-8,14H,2-4,9-11,20H2,1H3.
What are the key properties of 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115843446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).