5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine

C20H27NO — CID 82138257

IUPAC5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine
SMILESCc1ccc(OCCCC(C)(CN)c2ccccc2)cc1C
InChIInChI=1S/C20H27NO/c1-16-10-11-19(14-17(16)2)22-13-7-12-20(3,15-21)18-8-5-4-6-9-18/h4-6,8-11,14H,7,12-13,15,21H2,1-3H3
InChIKeyRCGBIRYBANRWGF-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.38
Rot. Bonds7

About 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine

5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine (PubChem CID 82138257) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine
PubChem CID82138257
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine
SMILESCc1ccc(OCCCC(C)(CN)c2ccccc2)cc1C
InChIInChI=1S/C20H27NO/c1-16-10-11-19(14-17(16)2)22-13-7-12-20(3,15-21)18-8-5-4-6-9-18/h4-6,8-11,14H,7,12-13,15,21H2,1-3H3
InChIKeyRCGBIRYBANRWGF-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
CID 82138572
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
6-(3,4-dimethylphenoxy)-2,2-dimethylhexanoic acid
CID 106714252
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354090
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
1,2-dimethyl-4-propoxybenzene
CID 23549082
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine?
The IUPAC name of 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine (CID 82138257) is 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine is Cc1ccc(OCCCC(C)(CN)c2ccccc2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine?
The InChIKey is RCGBIRYBANRWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-16-10-11-19(14-17(16)2)22-13-7-12-20(3,15-21)18-8-5-4-6-9-18/h4-6,8-11,14H,7,12-13,15,21H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine?
5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 82138257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).