1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine

C14H23NO — CID 142365268

IUPAC1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine
SMILESCCC(CCOC)c1ccc(CNC)cc1
InChIInChI=1S/C14H23NO/c1-4-13(9-10-16-3)14-7-5-12(6-8-14)11-15-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyGZBAUXJARYYNHY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.94
Rot. Bonds7

About 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine

1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine (PubChem CID 142365268) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine
PubChem CID142365268
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine
SMILESCCC(CCOC)c1ccc(CNC)cc1
InChIInChI=1S/C14H23NO/c1-4-13(9-10-16-3)14-7-5-12(6-8-14)11-15-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyGZBAUXJARYYNHY-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine (CID 142365268) is 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine is CCC(CCOC)c1ccc(CNC)cc1.
What is the InChIKey of 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine?
The InChIKey is GZBAUXJARYYNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(9-10-16-3)14-7-5-12(6-8-14)11-15-2/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine?
1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 142365268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).