5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine

C17H29NO — CID 82138572

IUPAC5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-17(6-2,13-18)10-7-11-19-16-9-8-14(3)15(4)12-16/h8-9,12H,5-7,10-11,13,18H2,1-4H3
InChIKeyDIFBOTQSKUZAGP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.23
Rot. Bonds8

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

5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine (PubChem CID 82138572) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
PubChem CID82138572
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-17(6-2,13-18)10-7-11-19-16-9-8-14(3)15(4)12-16/h8-9,12H,5-7,10-11,13,18H2,1-4H3
InChIKeyDIFBOTQSKUZAGP-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.23
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

4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
5-(3,4-dimethylphenoxy)-2-methyl-2-phenylpentan-1-amine
CID 82138257
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
5-(3,4-dimethylphenoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810494
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354090
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]ethanamine
CID 28918465

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine?
The IUPAC name of 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine (CID 82138572) is 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine is CCC(CC)(CN)CCCOc1ccc(C)c(C)c1.
What is the InChIKey of 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine?
The InChIKey is DIFBOTQSKUZAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-17(6-2,13-18)10-7-11-19-16-9-8-14(3)15(4)12-16/h8-9,12H,5-7,10-11,13,18H2,1-4H3.
What are the key properties of 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine?
5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine is sourced from PubChem (CID 82138572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).