N,N,1-trimethoxy-1-phenylmethanamine

C10H15NO3 — CID 87073400

IUPACN,N,1-trimethoxy-1-phenylmethanamine
SMILESCOC(c1ccccc1)N(OC)OC
InChIInChI=1S/C10H15NO3/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyJFIUPACPLASBGN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.76
Rot. Bonds5

About N,N,1-trimethoxy-1-phenylmethanamine

N,N,1-trimethoxy-1-phenylmethanamine (PubChem CID 87073400) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N,N,1-trimethoxy-1-phenylmethanamine.

Molecular Properties

Compound NameN,N,1-trimethoxy-1-phenylmethanamine
PubChem CID87073400
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN,N,1-trimethoxy-1-phenylmethanamine
SMILESCOC(c1ccccc1)N(OC)OC
InChIInChI=1S/C10H15NO3/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyJFIUPACPLASBGN-UHFFFAOYSA-N
XLogP1.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-[methoxy(phenyl)methyl]-1-phenylmethanamine
CID 22278186
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
N-[methoxymethoxy(phenyl)methyl]-N-methylaniline
CID 118542303
2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid
CID 174418902
[(2R)-2-methoxy-1-phenylpropyl]benzene
CID 101223865
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
CID 10400953
[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
CID 129364228
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
CID 145356517

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethoxy-1-phenylmethanamine?
The IUPAC name of N,N,1-trimethoxy-1-phenylmethanamine (CID 87073400) is N,N,1-trimethoxy-1-phenylmethanamine.
What is the SMILES notation for N,N,1-trimethoxy-1-phenylmethanamine?
The canonical SMILES for N,N,1-trimethoxy-1-phenylmethanamine is COC(c1ccccc1)N(OC)OC.
What is the InChIKey of N,N,1-trimethoxy-1-phenylmethanamine?
The InChIKey is JFIUPACPLASBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3.
What are the key properties of N,N,1-trimethoxy-1-phenylmethanamine?
N,N,1-trimethoxy-1-phenylmethanamine has a molecular weight of 197.23 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethoxy-1-phenylmethanamine is sourced from PubChem (CID 87073400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).