N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine

C18H23NO — CID 82708946

IUPACN-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NOCc2ccccc2)cc1C
InChIInChI=1S/C18H23NO/c1-13-10-15(3)18(11-14(13)2)16(4)19-20-12-17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3
InChIKeyKNHOPUWZECXHQR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.39
Rot. Bonds5

About N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine

N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 82708946) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID82708946
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NOCc2ccccc2)cc1C
InChIInChI=1S/C18H23NO/c1-13-10-15(3)18(11-14(13)2)16(4)19-20-12-17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3
InChIKeyKNHOPUWZECXHQR-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine (CID 82708946) is N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NOCc2ccccc2)cc1C.
What is the InChIKey of N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is KNHOPUWZECXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-10-15(3)18(11-14(13)2)16(4)19-20-12-17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3.
What are the key properties of N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine?
N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 82708946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).