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

C15H25NO — CID 105094085

IUPAC6-methoxy-N-methyl-1-phenylheptan-3-amine
SMILESCNC(CCc1ccccc1)CCC(C)OC
InChIInChI=1S/C15H25NO/c1-13(17-3)9-11-15(16-2)12-10-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyQBAUCFFOHVYVEL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds8

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

6-methoxy-N-methyl-1-phenylheptan-3-amine (PubChem CID 105094085) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-methoxy-N-methyl-1-phenylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-1-phenylheptan-3-amine
PubChem CID105094085
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-methoxy-N-methyl-1-phenylheptan-3-amine
SMILESCNC(CCc1ccccc1)CCC(C)OC
InChIInChI=1S/C15H25NO/c1-13(17-3)9-11-15(16-2)12-10-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyQBAUCFFOHVYVEL-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
CID 59877545
CID 59877545
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
4-(methylamino)-6-phenylhexan-2-one
CID 10420495

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-1-phenylheptan-3-amine?
The IUPAC name of 6-methoxy-N-methyl-1-phenylheptan-3-amine (CID 105094085) is 6-methoxy-N-methyl-1-phenylheptan-3-amine.
What is the SMILES notation for 6-methoxy-N-methyl-1-phenylheptan-3-amine?
The canonical SMILES for 6-methoxy-N-methyl-1-phenylheptan-3-amine is CNC(CCc1ccccc1)CCC(C)OC.
What is the InChIKey of 6-methoxy-N-methyl-1-phenylheptan-3-amine?
The InChIKey is QBAUCFFOHVYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(17-3)9-11-15(16-2)12-10-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-1-phenylheptan-3-amine?
6-methoxy-N-methyl-1-phenylheptan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-1-phenylheptan-3-amine is sourced from PubChem (CID 105094085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).