N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine

C9H10F3NO — CID 23499567

IUPACN-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCONCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyOGBMATVBOAYZBA-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.36
Rot. Bonds3

About N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine

N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 23499567) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID23499567
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCONCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyOGBMATVBOAYZBA-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
CID 117364183
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine (CID 23499567) is N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine is CONCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OGBMATVBOAYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine?
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 23499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).