N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine

C14H20F3NO — CID 55204337

IUPACN-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCC(C)COc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-10(2)9-19-13-6-5-11(8-18-3)7-12(13)14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyOLTWZYHAAKEPAI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.85
Rot. Bonds6

About N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine

N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 55204337) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID55204337
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCC(C)COc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-10(2)9-19-13-6-5-11(8-18-3)7-12(13)14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyOLTWZYHAAKEPAI-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 65369124
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
CID 114492086
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475
N-methyl-1-[3-(trifluoromethyl)-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615110
1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63319679
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 63319928
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63320117

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine (CID 55204337) is N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine is CCC(C)COc1ccc(CNC)cc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OLTWZYHAAKEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-10(2)9-19-13-6-5-11(8-18-3)7-12(13)14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 275.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 55204337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).