1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine

C17H29NO — CID 43321087

IUPAC1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine
SMILESCOc1ccc(C(N)CC(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C17H29NO/c1-12(11-17(3,4)5)9-16(18)15-8-7-14(19-6)10-13(15)2/h7-8,10,12,16H,9,11,18H2,1-6H3
InChIKeyGQMLGYGIFHQXCR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine

1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine (PubChem CID 43321087) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine
PubChem CID43321087
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine
SMILESCOc1ccc(C(N)CC(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C17H29NO/c1-12(11-17(3,4)5)9-16(18)15-8-7-14(19-6)10-13(15)2/h7-8,10,12,16H,9,11,18H2,1-6H3
InChIKeyGQMLGYGIFHQXCR-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(2,3-difluoro-4-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 107516044
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine (CID 43321087) is 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine is COc1ccc(C(N)CC(C)CC(C)(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine?
The InChIKey is GQMLGYGIFHQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(11-17(3,4)5)9-16(18)15-8-7-14(19-6)10-13(15)2/h7-8,10,12,16H,9,11,18H2,1-6H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine?
1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 43321087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).