N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline

C20H27NO2 — CID 154621158

IUPACN-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccccc2OC)CC(C)(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)15-21(17-10-12-18(22-4)13-11-17)14-16-8-6-7-9-19(16)23-5/h6-13H,14-15H2,1-5H3
InChIKeyOAXXVKACDHQLTR-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.76
Rot. Bonds6

About N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline

N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 154621158) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID154621158
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccccc2OC)CC(C)(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)15-21(17-10-12-18(22-4)13-11-17)14-16-8-6-7-9-19(16)23-5/h6-13H,14-15H2,1-5H3
InChIKeyOAXXVKACDHQLTR-UHFFFAOYSA-N
XLogP4.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethylpropyl)-4-methoxyaniline
CID 154621335
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-benzyl-4-methoxy-N-(trifluoromethyl)aniline
CID 15363788
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline (CID 154621158) is N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline is COc1ccc(N(Cc2ccccc2OC)CC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is OAXXVKACDHQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,3)15-21(17-10-12-18(22-4)13-11-17)14-16-8-6-7-9-19(16)23-5/h6-13H,14-15H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline?
N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 313.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 154621158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).