1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine

C14H23NO — CID 105145254

IUPAC1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-8-16-9-7-14(15)13-6-5-11(2)10-12(13)3/h5-6,10,14H,4,7-9,15H2,1-3H3
InChIKeyJEXRFEGIQNGWBT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine

1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine (PubChem CID 105145254) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
PubChem CID105145254
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-8-16-9-7-14(15)13-6-5-11(2)10-12(13)3/h5-6,10,14H,4,7-9,15H2,1-3H3
InChIKeyJEXRFEGIQNGWBT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

1-[2-methyl-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-amine
CID 102758716
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine (CID 105145254) is 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine is CCCOCCC(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine?
The InChIKey is JEXRFEGIQNGWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-16-9-7-14(15)13-6-5-11(2)10-12(13)3/h5-6,10,14H,4,7-9,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine?
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105145254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).