N-tert-butyl-3-phenylmethoxyaniline

C17H21NO — CID 58745609

IUPACN-tert-butyl-3-phenylmethoxyaniline
SMILESCC(C)(C)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-17(2,3)18-15-10-7-11-16(12-15)19-13-14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3
InChIKeyJNCFBGDGHHZFAF-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.48
Rot. Bonds4

About N-tert-butyl-3-phenylmethoxyaniline

N-tert-butyl-3-phenylmethoxyaniline (PubChem CID 58745609) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-tert-butyl-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-tert-butyl-3-phenylmethoxyaniline
PubChem CID58745609
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-tert-butyl-3-phenylmethoxyaniline
SMILESCC(C)(C)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-17(2,3)18-15-10-7-11-16(12-15)19-13-14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3
InChIKeyJNCFBGDGHHZFAF-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-phenylmethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-phenylmethoxyaniline
CID 54801332
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
1-amino-2-methyl-1-(3-phenylmethoxyanilino)propan-2-ol
CID 91225127
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-phenylmethoxyaniline?
The IUPAC name of N-tert-butyl-3-phenylmethoxyaniline (CID 58745609) is N-tert-butyl-3-phenylmethoxyaniline.
What is the SMILES notation for N-tert-butyl-3-phenylmethoxyaniline?
The canonical SMILES for N-tert-butyl-3-phenylmethoxyaniline is CC(C)(C)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-3-phenylmethoxyaniline?
The InChIKey is JNCFBGDGHHZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)18-15-10-7-11-16(12-15)19-13-14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3.
What are the key properties of N-tert-butyl-3-phenylmethoxyaniline?
N-tert-butyl-3-phenylmethoxyaniline has a molecular weight of 255.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-phenylmethoxyaniline is sourced from PubChem (CID 58745609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).