2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine

C17H29NO — CID 82138560

IUPAC2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
SMILESCCC(CC)(CN)CCCCOc1ccccc1C
InChIInChI=1S/C17H29NO/c1-4-17(5-2,14-18)12-8-9-13-19-16-11-7-6-10-15(16)3/h6-7,10-11H,4-5,8-9,12-14,18H2,1-3H3
InChIKeyBDNLOPOZISUDIP-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.31
Rot. Bonds9

About 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine

2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine (PubChem CID 82138560) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
PubChem CID82138560
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
SMILESCCC(CC)(CN)CCCCOc1ccccc1C
InChIInChI=1S/C17H29NO/c1-4-17(5-2,14-18)12-8-9-13-19-16-11-7-6-10-15(16)3/h6-7,10-11H,4-5,8-9,12-14,18H2,1-3H3
InChIKeyBDNLOPOZISUDIP-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.31
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

2,2-diethyl-6-(2-methylphenoxy)hexanenitrile
CID 82138641
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile
CID 106804572
5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
CID 82138572
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine?
The IUPAC name of 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine (CID 82138560) is 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine.
What is the SMILES notation for 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine?
The canonical SMILES for 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine is CCC(CC)(CN)CCCCOc1ccccc1C.
What is the InChIKey of 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine?
The InChIKey is BDNLOPOZISUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-17(5-2,14-18)12-8-9-13-19-16-11-7-6-10-15(16)3/h6-7,10-11H,4-5,8-9,12-14,18H2,1-3H3.
What are the key properties of 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine?
2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine is sourced from PubChem (CID 82138560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).