N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine

C15H22F3NO — CID 62441123

IUPACN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(CNCC(C)C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-13(10-19-9-11(2)3)20-14-7-5-12(6-8-14)15(16,17)18/h5-8,11,13,19H,4,9-10H2,1-3H3
InChIKeyPZBKMDGMTNJITR-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.11
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine

N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine (PubChem CID 62441123) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
PubChem CID62441123
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(CNCC(C)C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-13(10-19-9-11(2)3)20-14-7-5-12(6-8-14)15(16,17)18/h5-8,11,13,19H,4,9-10H2,1-3H3
InChIKeyPZBKMDGMTNJITR-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine (CID 62441123) is N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine is CCC(CNCC(C)C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The InChIKey is PZBKMDGMTNJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-13(10-19-9-11(2)3)20-14-7-5-12(6-8-14)15(16,17)18/h5-8,11,13,19H,4,9-10H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 62441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).