3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine

C16H16F3NO — CID 43482181

IUPAC3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-16(17,18)19)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3
InChIKeyUHKHCZXWMSEPTP-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.69
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine (PubChem CID 43482181) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
PubChem CID43482181
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-16(17,18)19)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3
InChIKeyUHKHCZXWMSEPTP-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116909235
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
CID 105206009
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine (CID 43482181) is 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine is CNC(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine?
The InChIKey is UHKHCZXWMSEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-15(11-16(17,18)19)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine has a molecular weight of 295.30 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 43482181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).