1-methoxy-N-methyl-6-phenylhexan-3-amine

C14H23NO — CID 62605190

IUPAC1-methoxy-N-methyl-6-phenylhexan-3-amine
SMILESCNC(CCCc1ccccc1)CCOC
InChIInChI=1S/C14H23NO/c1-15-14(11-12-16-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyWKOMEGKTVHKHAO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About 1-methoxy-N-methyl-6-phenylhexan-3-amine

1-methoxy-N-methyl-6-phenylhexan-3-amine (PubChem CID 62605190) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methoxy-N-methyl-6-phenylhexan-3-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-6-phenylhexan-3-amine
PubChem CID62605190
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methoxy-N-methyl-6-phenylhexan-3-amine
SMILESCNC(CCCc1ccccc1)CCOC
InChIInChI=1S/C14H23NO/c1-15-14(11-12-16-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyWKOMEGKTVHKHAO-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-6-phenylhexan-3-amine?
The IUPAC name of 1-methoxy-N-methyl-6-phenylhexan-3-amine (CID 62605190) is 1-methoxy-N-methyl-6-phenylhexan-3-amine.
What is the SMILES notation for 1-methoxy-N-methyl-6-phenylhexan-3-amine?
The canonical SMILES for 1-methoxy-N-methyl-6-phenylhexan-3-amine is CNC(CCCc1ccccc1)CCOC.
What is the InChIKey of 1-methoxy-N-methyl-6-phenylhexan-3-amine?
The InChIKey is WKOMEGKTVHKHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-14(11-12-16-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-6-phenylhexan-3-amine?
1-methoxy-N-methyl-6-phenylhexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-6-phenylhexan-3-amine is sourced from PubChem (CID 62605190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).