6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine

C18H31NO — CID 65306554

IUPAC6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCCOc1ccc(C)cc1CCCCCCNC(C)C
InChIInChI=1S/C18H31NO/c1-5-20-18-12-11-16(4)14-17(18)10-8-6-7-9-13-19-15(2)3/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeyNNVJHMODRUYLEU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds10

About 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine

6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine (PubChem CID 65306554) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
PubChem CID65306554
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCCOc1ccc(C)cc1CCCCCCNC(C)C
InChIInChI=1S/C18H31NO/c1-5-20-18-12-11-16(4)14-17(18)10-8-6-7-9-13-19-15(2)3/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeyNNVJHMODRUYLEU-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
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

6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83933680
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine (CID 65306554) is 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine is CCOc1ccc(C)cc1CCCCCCNC(C)C.
What is the InChIKey of 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is NNVJHMODRUYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-20-18-12-11-16(4)14-17(18)10-8-6-7-9-13-19-15(2)3/h11-12,14-15,19H,5-10,13H2,1-4H3.
What are the key properties of 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine?
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65306554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).