2-(2-methylbutyl)-4-phenylmethoxyaniline

C18H23NO — CID 123653214

IUPAC2-(2-methylbutyl)-4-phenylmethoxyaniline
SMILESCCC(C)Cc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C18H23NO/c1-3-14(2)11-16-12-17(9-10-18(16)19)20-13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13,19H2,1-2H3
InChIKeyMEKVORUWBRNTRQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds6

About 2-(2-methylbutyl)-4-phenylmethoxyaniline

2-(2-methylbutyl)-4-phenylmethoxyaniline (PubChem CID 123653214) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-methylbutyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-(2-methylbutyl)-4-phenylmethoxyaniline
PubChem CID123653214
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2-methylbutyl)-4-phenylmethoxyaniline
SMILESCCC(C)Cc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C18H23NO/c1-3-14(2)11-16-12-17(9-10-18(16)19)20-13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13,19H2,1-2H3
InChIKeyMEKVORUWBRNTRQ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335
5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
CID 91446347
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
CID 146295903
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-4-phenylmethoxyaniline?
The IUPAC name of 2-(2-methylbutyl)-4-phenylmethoxyaniline (CID 123653214) is 2-(2-methylbutyl)-4-phenylmethoxyaniline.
What is the SMILES notation for 2-(2-methylbutyl)-4-phenylmethoxyaniline?
The canonical SMILES for 2-(2-methylbutyl)-4-phenylmethoxyaniline is CCC(C)Cc1cc(OCc2ccccc2)ccc1N.
What is the InChIKey of 2-(2-methylbutyl)-4-phenylmethoxyaniline?
The InChIKey is MEKVORUWBRNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14(2)11-16-12-17(9-10-18(16)19)20-13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13,19H2,1-2H3.
What are the key properties of 2-(2-methylbutyl)-4-phenylmethoxyaniline?
2-(2-methylbutyl)-4-phenylmethoxyaniline has a molecular weight of 269.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 123653214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).