1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

C16H17F3NOP — CID 176995369

IUPAC1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCOc1cccc(C(P)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3NOP/c1-21-14-7-3-5-12(9-14)15(22)20-10-11-4-2-6-13(8-11)16(17,18)19/h2-9,15,20H,10,22H2,1H3
InChIKeyRVQSPGGIQQRATC-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.38
Rot. Bonds5

About 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 176995369) has the molecular formula C16H17F3NOP and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID176995369
Molecular FormulaC16H17F3NOP
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCOc1cccc(C(P)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3NOP/c1-21-14-7-3-5-12(9-14)15(22)20-10-11-4-2-6-13(8-11)16(17,18)19/h2-9,15,20H,10,22H2,1H3
InChIKeyRVQSPGGIQQRATC-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
CID 176995318
N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
CID 176995140
(2S)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 20642616
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-[[(S)-(3-methoxyphenyl)methylsulfinyl]methyl]-3-(trifluoromethyl)benzene
CID 94812111
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 176995369) is 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is COc1cccc(C(P)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is RVQSPGGIQQRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3NOP/c1-21-14-7-3-5-12(9-14)15(22)20-10-11-4-2-6-13(8-11)16(17,18)19/h2-9,15,20H,10,22H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 327.29 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 176995369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).