1-(4-ethylphenyl)-N-phenylmethoxymethanamine

C16H19NO — CID 64974535

IUPAC1-(4-ethylphenyl)-N-phenylmethoxymethanamine
SMILESCCc1ccc(CNOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-14-8-10-15(11-9-14)12-17-18-13-16-6-4-3-5-7-16/h3-11,17H,2,12-13H2,1H3
InChIKeyDJOJIXDZRKOFCF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-ethylphenyl)-N-phenylmethoxymethanamine

1-(4-ethylphenyl)-N-phenylmethoxymethanamine (PubChem CID 64974535) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-phenylmethoxymethanamine
PubChem CID64974535
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-ethylphenyl)-N-phenylmethoxymethanamine
SMILESCCc1ccc(CNOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-14-8-10-15(11-9-14)12-17-18-13-16-6-4-3-5-7-16/h3-11,17H,2,12-13H2,1H3
InChIKeyDJOJIXDZRKOFCF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493
ethylcyclodecapentaene
CID 90861705
N-(methoxymethoxy)-1-phenylmethanamine
CID 54396406
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
CID 64974568
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-phenylmethoxymethanamine (CID 64974535) is 1-(4-ethylphenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-phenylmethoxymethanamine is CCc1ccc(CNOCc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-phenylmethoxymethanamine?
The InChIKey is DJOJIXDZRKOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-14-8-10-15(11-9-14)12-17-18-13-16-6-4-3-5-7-16/h3-11,17H,2,12-13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-N-phenylmethoxymethanamine?
1-(4-ethylphenyl)-N-phenylmethoxymethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 64974535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).