4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol

C20H27NO2 — CID 119138820

IUPAC4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccccc1-c1ccc(CNCC(C)(C)CCO)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,12-13-22)15-21-14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-3/h4-11,21-22H,12-15H2,1-3H3
InChIKeyJCBYIEXGOUVXEH-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.86
Rot. Bonds8

About 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol

4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol (PubChem CID 119138820) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
PubChem CID119138820
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccccc1-c1ccc(CNCC(C)(C)CCO)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,12-13-22)15-21-14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-3/h4-11,21-22H,12-15H2,1-3H3
InChIKeyJCBYIEXGOUVXEH-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
4-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470685
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid
CID 166396444
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol (CID 119138820) is 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol is COc1ccccc1-c1ccc(CNCC(C)(C)CCO)cc1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is JCBYIEXGOUVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,12-13-22)15-21-14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-3/h4-11,21-22H,12-15H2,1-3H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol?
4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 119138820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).