6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine

C15H25NO — CID 79308478

IUPAC6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
SMILESCCC(NC)C(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-5-15(16-3)12(2)6-7-13-8-10-14(17-4)11-9-13/h8-12,15-16H,5-7H2,1-4H3
InChIKeyDDWAACTZKMERAC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds7

About 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine

6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine (PubChem CID 79308478) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
PubChem CID79308478
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
SMILESCCC(NC)C(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-5-15(16-3)12(2)6-7-13-8-10-14(17-4)11-9-13/h8-12,15-16H,5-7H2,1-4H3
InChIKeyDDWAACTZKMERAC-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
1-(4-methoxyphenyl)-4-methyloctan-3-ol
CID 114247161

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine (CID 79308478) is 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine is CCC(NC)C(C)CCc1ccc(OC)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine?
The InChIKey is DDWAACTZKMERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(16-3)12(2)6-7-13-8-10-14(17-4)11-9-13/h8-12,15-16H,5-7H2,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine?
6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine is sourced from PubChem (CID 79308478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).