N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine

C19H33NO — CID 43720355

IUPACN-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
SMILESCCC(NC(CC(C)C)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-7-19(16-8-10-18(21-6)11-9-16)20-17(12-14(2)3)13-15(4)5/h8-11,14-15,17,19-20H,7,12-13H2,1-6H3
InChIKeyZRJBVARJKQCQFJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.20
Rot. Bonds9

About N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine

N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine (PubChem CID 43720355) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
PubChem CID43720355
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
SMILESCCC(NC(CC(C)C)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-7-19(16-8-10-18(21-6)11-9-16)20-17(12-14(2)3)13-15(4)5/h8-11,14-15,17,19-20H,7,12-13H2,1-6H3
InChIKeyZRJBVARJKQCQFJ-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
CID 103779714
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 61246097
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine (CID 43720355) is N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine is CCC(NC(CC(C)C)CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine?
The InChIKey is ZRJBVARJKQCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-19(16-8-10-18(21-6)11-9-16)20-17(12-14(2)3)13-15(4)5/h8-11,14-15,17,19-20H,7,12-13H2,1-6H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine?
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine has a molecular weight of 291.48 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43720355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).