2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine

C14H20F3NO — CID 64552907

IUPAC2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-11(2)9-18-10-12-3-5-13(6-4-12)19-8-7-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyRBQRXBRNOONMAV-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.76
Rot. Bonds7

About 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine (PubChem CID 64552907) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
PubChem CID64552907
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-11(2)9-18-10-12-3-5-13(6-4-12)19-8-7-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyRBQRXBRNOONMAV-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959534
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine (CID 64552907) is 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(OCCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine?
The InChIKey is RBQRXBRNOONMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-11(2)9-18-10-12-3-5-13(6-4-12)19-8-7-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 64552907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).