5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine

C17H29NO — CID 83067861

IUPAC5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-10-18-11-8-6-7-9-16-12-14(2)17(19-4)15(3)13-16/h12-13,18H,5-11H2,1-4H3
InChIKeyZSLLZKHNDGDDEE-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.02
Rot. Bonds9

About 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine

5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine (PubChem CID 83067861) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
PubChem CID83067861
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-10-18-11-8-6-7-9-16-12-14(2)17(19-4)15(3)13-16/h12-13,18H,5-11H2,1-4H3
InChIKeyZSLLZKHNDGDDEE-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.02
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

6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N'-[2-(3,4-dimethoxy-5-methylphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 19838089
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
5-phenyl-N-propylpentan-1-amine
CID 62530615
3-chloro-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 115215673
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 83044761
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine (CID 83067861) is 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine is CCCNCCCCCc1cc(C)c(OC)c(C)c1.
What is the InChIKey of 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine?
The InChIKey is ZSLLZKHNDGDDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-10-18-11-8-6-7-9-16-12-14(2)17(19-4)15(3)13-16/h12-13,18H,5-11H2,1-4H3.
What are the key properties of 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine?
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 83067861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).