4-methyl-1-(3-methylphenoxy)hexan-3-amine

C14H23NO — CID 105170434

IUPAC4-methyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCC(C)C(N)CCOc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-12(3)14(15)8-9-16-13-7-5-6-11(2)10-13/h5-7,10,12,14H,4,8-9,15H2,1-3H3
InChIKeyPNKYFIXFDIVXLD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-1-(3-methylphenoxy)hexan-3-amine

4-methyl-1-(3-methylphenoxy)hexan-3-amine (PubChem CID 105170434) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenoxy)hexan-3-amine
PubChem CID105170434
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCC(C)C(N)CCOc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-12(3)14(15)8-9-16-13-7-5-6-11(2)10-13/h5-7,10,12,14H,4,8-9,15H2,1-3H3
InChIKeyPNKYFIXFDIVXLD-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenoxy)hexan-3-amine?
The IUPAC name of 4-methyl-1-(3-methylphenoxy)hexan-3-amine (CID 105170434) is 4-methyl-1-(3-methylphenoxy)hexan-3-amine.
What is the SMILES notation for 4-methyl-1-(3-methylphenoxy)hexan-3-amine?
The canonical SMILES for 4-methyl-1-(3-methylphenoxy)hexan-3-amine is CCC(C)C(N)CCOc1cccc(C)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenoxy)hexan-3-amine?
The InChIKey is PNKYFIXFDIVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(3)14(15)8-9-16-13-7-5-6-11(2)10-13/h5-7,10,12,14H,4,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylphenoxy)hexan-3-amine?
4-methyl-1-(3-methylphenoxy)hexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenoxy)hexan-3-amine is sourced from PubChem (CID 105170434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).