6-(4-butan-2-ylphenoxy)hexan-3-amine

C16H27NO — CID 107664234

IUPAC6-(4-butan-2-ylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-4-13(3)14-8-10-16(11-9-14)18-12-6-7-15(17)5-2/h8-11,13,15H,4-7,12,17H2,1-3H3
InChIKeyYUZCOJXXSRNUPI-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.10
Rot. Bonds8

About 6-(4-butan-2-ylphenoxy)hexan-3-amine

6-(4-butan-2-ylphenoxy)hexan-3-amine (PubChem CID 107664234) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)hexan-3-amine
PubChem CID107664234
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-(4-butan-2-ylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-4-13(3)14-8-10-16(11-9-14)18-12-6-7-15(17)5-2/h8-11,13,15H,4-7,12,17H2,1-3H3
InChIKeyYUZCOJXXSRNUPI-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.10
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-(4-methylphenoxy)hexan-3-amine
CID 106800758
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
5-(4-butan-2-ylphenoxy)pentanethioamide
CID 107664949
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
CID 2298384
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
[4-[6-[4-(diaminomethyl)phenoxy]hexoxy]phenyl]methanediamine
CID 100964833

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)hexan-3-amine?
The IUPAC name of 6-(4-butan-2-ylphenoxy)hexan-3-amine (CID 107664234) is 6-(4-butan-2-ylphenoxy)hexan-3-amine.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)hexan-3-amine?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)hexan-3-amine is CCC(N)CCCOc1ccc(C(C)CC)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)hexan-3-amine?
The InChIKey is YUZCOJXXSRNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-13(3)14-8-10-16(11-9-14)18-12-6-7-15(17)5-2/h8-11,13,15H,4-7,12,17H2,1-3H3.
What are the key properties of 6-(4-butan-2-ylphenoxy)hexan-3-amine?
6-(4-butan-2-ylphenoxy)hexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)hexan-3-amine is sourced from PubChem (CID 107664234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).