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

C16H24F3NO — CID 62444619

IUPACN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-20-10-4-5-13(3)21-15-8-6-14(7-9-15)16(17,18)19/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyAFNAXGURZABXLC-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.50
Rot. Bonds8

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

N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 62444619) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID62444619
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-20-10-4-5-13(3)21-15-8-6-14(7-9-15)16(17,18)19/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyAFNAXGURZABXLC-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
N-(2-methylpropyl)-4-quinolin-7-yloxypentan-1-amine
CID 107315179
4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62451733
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine (CID 62444619) is N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine is CC(C)CNCCCC(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is AFNAXGURZABXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(2)11-20-10-4-5-13(3)21-15-8-6-14(7-9-15)16(17,18)19/h6-9,12-13,20H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 62444619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).