3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

C22H23NO — CID 134358030

IUPAC3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCOc1cccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO/c1-22(2,17-8-5-4-6-9-17)18-12-14-19(15-13-18)23-20-10-7-11-21(16-20)24-3/h4-16,23H,1-3H3
InChIKeyMEIRIKWXGFBSPG-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.76
Rot. Bonds5

About 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 134358030) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
PubChem CID134358030
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCOc1cccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO/c1-22(2,17-8-5-4-6-9-17)18-12-14-19(15-13-18)23-20-10-7-11-21(16-20)24-3/h4-16,23H,1-3H3
InChIKeyMEIRIKWXGFBSPG-UHFFFAOYSA-N
XLogP5.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
CID 166562766
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
N-[2-(3-methoxyphenyl)propan-2-yl]aniline
CID 69399416
3-tert-butyl-N-phenylaniline
CID 19803090
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (CID 134358030) is 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is COc1cccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is MEIRIKWXGFBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-22(2,17-8-5-4-6-9-17)18-12-14-19(15-13-18)23-20-10-7-11-21(16-20)24-3/h4-16,23H,1-3H3.
What are the key properties of 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 317.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 134358030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).