6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

C19H33NO — CID 65306555

IUPAC6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCOc1ccc(C)cc1CCCCCCNCC(C)C
InChIInChI=1S/C19H33NO/c1-5-21-19-12-11-17(4)14-18(19)10-8-6-7-9-13-20-15-16(2)3/h11-12,14,16,20H,5-10,13,15H2,1-4H3
InChIKeyIIQWGPUKQNHQQA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.74
Rot. Bonds11

About 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 65306555) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID65306555
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCOc1ccc(C)cc1CCCCCCNCC(C)C
InChIInChI=1S/C19H33NO/c1-5-21-19-12-11-17(4)14-18(19)10-8-6-7-9-13-20-15-16(2)3/h11-12,14,16,20H,5-10,13,15H2,1-4H3
InChIKeyIIQWGPUKQNHQQA-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.74
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-ethylhexan-1-amine
CID 65306553
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 65306555) is 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine is CCOc1ccc(C)cc1CCCCCCNCC(C)C.
What is the InChIKey of 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is IIQWGPUKQNHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-21-19-12-11-17(4)14-18(19)10-8-6-7-9-13-20-15-16(2)3/h11-12,14,16,20H,5-10,13,15H2,1-4H3.
What are the key properties of 6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.74, 11 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-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 65306555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).