1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine

C14H23NO — CID 105140365

IUPAC1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-5-7-13(9-11(10)2)14(15)8-6-12(3)16-4/h5,7,9,12,14H,6,8,15H2,1-4H3
InChIKeyGSZHPFVGXKIEAK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.12
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine

1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine (PubChem CID 105140365) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
PubChem CID105140365
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-5-7-13(9-11(10)2)14(15)8-6-12(3)16-4/h5,7,9,12,14H,6,8,15H2,1-4H3
InChIKeyGSZHPFVGXKIEAK-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine (CID 105140365) is 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine is COC(C)CCC(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine?
The InChIKey is GSZHPFVGXKIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-7-13(9-11(10)2)14(15)8-6-12(3)16-4/h5,7,9,12,14H,6,8,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine?
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine is sourced from PubChem (CID 105140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).