3-(4-methylphenoxy)-N-propylpropan-1-amine

C13H21NO — CID 29015066

IUPAC3-(4-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-3-9-14-10-4-11-15-13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyYMJQUWBMVFUTQR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds7

About 3-(4-methylphenoxy)-N-propylpropan-1-amine

3-(4-methylphenoxy)-N-propylpropan-1-amine (PubChem CID 29015066) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-propylpropan-1-amine
PubChem CID29015066
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(4-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-3-9-14-10-4-11-15-13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyYMJQUWBMVFUTQR-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
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

N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-methylphenoxy)-N-propylpropan-1-amine (CID 29015066) is 3-(4-methylphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-methylphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-methylphenoxy)-N-propylpropan-1-amine is CCCNCCCOc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-propylpropan-1-amine?
The InChIKey is YMJQUWBMVFUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-9-14-10-4-11-15-13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-methylphenoxy)-N-propylpropan-1-amine?
3-(4-methylphenoxy)-N-propylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 29015066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).