1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine

C14H23NO — CID 105145329

IUPAC1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-5-7-13(11(2)9-10)14(15)8-6-12(3)16-4/h5,7,9,12,14H,6,8,15H2,1-4H3
InChIKeyLNJQYZHAYQOYDH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.12
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine

1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine (PubChem CID 105145329) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
PubChem CID105145329
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-5-7-13(11(2)9-10)14(15)8-6-12(3)16-4/h5,7,9,12,14H,6,8,15H2,1-4H3
InChIKeyLNJQYZHAYQOYDH-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-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine (CID 105145329) is 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine is COC(C)CCC(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine?
The InChIKey is LNJQYZHAYQOYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-7-13(11(2)9-10)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-(2,4-dimethylphenyl)-4-methoxypentan-1-amine?
1-(2,4-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-(2,4-dimethylphenyl)-4-methoxypentan-1-amine is sourced from PubChem (CID 105145329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).