2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine

C15H25NO — CID 55083396

IUPAC2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
SMILESCCCCC(CNC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-14(12-16-2)11-13-7-9-15(17-3)10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyKFCIIXJPNLTANN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine

2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine (PubChem CID 55083396) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
PubChem CID55083396
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
SMILESCCCCC(CNC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-14(12-16-2)11-13-7-9-15(17-3)10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyKFCIIXJPNLTANN-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
2-[(4-methoxyphenyl)methyl]-N-methyl-4-propylsulfonylbutan-1-amine
CID 106729723
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
2-benzyl-N-methyldecan-1-amine
CID 63498488
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine (CID 55083396) is 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine is CCCCC(CNC)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine?
The InChIKey is KFCIIXJPNLTANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-14(12-16-2)11-13-7-9-15(17-3)10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine?
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine is sourced from PubChem (CID 55083396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).