6-(4-methylphenoxy)hexan-3-amine

C13H21NO — CID 106800758

IUPAC6-(4-methylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-3-12(14)5-4-10-15-13-8-6-11(2)7-9-13/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyYSVLFRGLLSRMEH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds6

About 6-(4-methylphenoxy)hexan-3-amine

6-(4-methylphenoxy)hexan-3-amine (PubChem CID 106800758) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-(4-methylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(4-methylphenoxy)hexan-3-amine
PubChem CID106800758
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-(4-methylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-3-12(14)5-4-10-15-13-8-6-11(2)7-9-13/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyYSVLFRGLLSRMEH-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
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-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
5-(4-methylphenoxy)pentane-2-thiol
CID 57005602
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
ethyl 2-(4-heptoxyphenyl)-2-(4-methylphenyl)acetate
CID 54086655
11-(4-methylphenoxy)undecan-1-ol
CID 67541960

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)hexan-3-amine?
The IUPAC name of 6-(4-methylphenoxy)hexan-3-amine (CID 106800758) is 6-(4-methylphenoxy)hexan-3-amine.
What is the SMILES notation for 6-(4-methylphenoxy)hexan-3-amine?
The canonical SMILES for 6-(4-methylphenoxy)hexan-3-amine is CCC(N)CCCOc1ccc(C)cc1.
What is the InChIKey of 6-(4-methylphenoxy)hexan-3-amine?
The InChIKey is YSVLFRGLLSRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12(14)5-4-10-15-13-8-6-11(2)7-9-13/h6-9,12H,3-5,10,14H2,1-2H3.
What are the key properties of 6-(4-methylphenoxy)hexan-3-amine?
6-(4-methylphenoxy)hexan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)hexan-3-amine is sourced from PubChem (CID 106800758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).