(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C16H22F3NO — CID 102755265

IUPAC(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCCOC1(C(N)c2ccc(C(F)(F)F)cc2C)CCCC1
InChIInChI=1S/C16H22F3NO/c1-3-21-15(8-4-5-9-15)14(20)13-7-6-12(10-11(13)2)16(17,18)19/h6-7,10,14H,3-5,8-9,20H2,1-2H3
InChIKeyKNRUUYFGGPXDGZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.36
Rot. Bonds4

About (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102755265) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102755265
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCCOC1(C(N)c2ccc(C(F)(F)F)cc2C)CCCC1
InChIInChI=1S/C16H22F3NO/c1-3-21-15(8-4-5-9-15)14(20)13-7-6-12(10-11(13)2)16(17,18)19/h6-7,10,14H,3-5,8-9,20H2,1-2H3
InChIKeyKNRUUYFGGPXDGZ-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433954
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
1-[2-methyl-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-amine
CID 102758716
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102755265) is (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CCOC1(C(N)c2ccc(C(F)(F)F)cc2C)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KNRUUYFGGPXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-3-21-15(8-4-5-9-15)14(20)13-7-6-12(10-11(13)2)16(17,18)19/h6-7,10,14H,3-5,8-9,20H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102755265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).