N-(2-methylpropyl)-4-phenylmethoxyaniline

C17H21NO — CID 57172587

IUPACN-(2-methylpropyl)-4-phenylmethoxyaniline
SMILESCC(C)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(2)12-18-16-8-10-17(11-9-16)19-13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyRZDREVPTVOVFLK-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.33
Rot. Bonds6

About N-(2-methylpropyl)-4-phenylmethoxyaniline

N-(2-methylpropyl)-4-phenylmethoxyaniline (PubChem CID 57172587) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-phenylmethoxyaniline
PubChem CID57172587
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(2-methylpropyl)-4-phenylmethoxyaniline
SMILESCC(C)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(2)12-18-16-8-10-17(11-9-16)19-13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyRZDREVPTVOVFLK-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline
CID 54799482
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-phenylmethoxyaniline?
The IUPAC name of N-(2-methylpropyl)-4-phenylmethoxyaniline (CID 57172587) is N-(2-methylpropyl)-4-phenylmethoxyaniline.
What is the SMILES notation for N-(2-methylpropyl)-4-phenylmethoxyaniline?
The canonical SMILES for N-(2-methylpropyl)-4-phenylmethoxyaniline is CC(C)CNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-phenylmethoxyaniline?
The InChIKey is RZDREVPTVOVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(2)12-18-16-8-10-17(11-9-16)19-13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-phenylmethoxyaniline?
N-(2-methylpropyl)-4-phenylmethoxyaniline has a molecular weight of 255.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 57172587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).