[2-butoxy-5-(trifluoromethyl)phenyl]methanamine

C12H16F3NO — CID 43267438

IUPAC[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCCCCOc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H16F3NO/c1-2-3-6-17-11-5-4-10(12(13,14)15)7-9(11)8-16/h4-5,7H,2-3,6,8,16H2,1H3
InChIKeyVXAIMYYLNNUNLT-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.34
Rot. Bonds5

About [2-butoxy-5-(trifluoromethyl)phenyl]methanamine

[2-butoxy-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43267438) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is [2-butoxy-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43267438
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCCCCOc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H16F3NO/c1-2-3-6-17-11-5-4-10(12(13,14)15)7-9(11)8-16/h4-5,7H,2-3,6,8,16H2,1H3
InChIKeyVXAIMYYLNNUNLT-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.34
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-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
[2-decoxy-5-(trifluoromethyl)phenyl]boronic acid
CID 150144384
2-(2-butoxyethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 43153698
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127

Frequently Asked Questions

What is the IUPAC name of [2-butoxy-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-butoxy-5-(trifluoromethyl)phenyl]methanamine (CID 43267438) is [2-butoxy-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-butoxy-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-butoxy-5-(trifluoromethyl)phenyl]methanamine is CCCCOc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of [2-butoxy-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VXAIMYYLNNUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-3-6-17-11-5-4-10(12(13,14)15)7-9(11)8-16/h4-5,7H,2-3,6,8,16H2,1H3.
What are the key properties of [2-butoxy-5-(trifluoromethyl)phenyl]methanamine?
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 247.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butoxy-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43267438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).