(4-propoxyphenyl)methanamine

C10H15NO — CID 7016228

IUPAC(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CN)cc1
InChIInChI=1S/C10H15NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyRBILQKHLZVEMQD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds4

About (4-propoxyphenyl)methanamine

(4-propoxyphenyl)methanamine (PubChem CID 7016228) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-propoxyphenyl)methanamine
PubChem CID7016228
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CN)cc1
InChIInChI=1S/C10H15NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyRBILQKHLZVEMQD-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)methanamine?
The IUPAC name of (4-propoxyphenyl)methanamine (CID 7016228) is (4-propoxyphenyl)methanamine.
What is the SMILES notation for (4-propoxyphenyl)methanamine?
The canonical SMILES for (4-propoxyphenyl)methanamine is CCCOc1ccc(CN)cc1.
What is the InChIKey of (4-propoxyphenyl)methanamine?
The InChIKey is RBILQKHLZVEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3.
What are the key properties of (4-propoxyphenyl)methanamine?
(4-propoxyphenyl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)methanamine is sourced from PubChem (CID 7016228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).