1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

C16H16F3NO — CID 103792828

IUPAC1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H16F3NO/c1-10(11-3-5-13(21-2)6-4-11)20-9-12-7-15(18)16(19)8-14(12)17/h3-8,10,20H,9H2,1-2H3
InChIKeyVCMPJZBKYQRDFL-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.96
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 103792828) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID103792828
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H16F3NO/c1-10(11-3-5-13(21-2)6-4-11)20-9-12-7-15(18)16(19)8-14(12)17/h3-8,10,20H,9H2,1-2H3
InChIKeyVCMPJZBKYQRDFL-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
4-fluoro-3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 81368640
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (CID 103792828) is 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine is COc1ccc(C(C)NCc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is VCMPJZBKYQRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(11-3-5-13(21-2)6-4-11)20-9-12-7-15(18)16(19)8-14(12)17/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103792828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).