2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine

C19H33NO — CID 107887077

IUPAC2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC(C)C)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H33NO/c1-7-8-15(4)18(13-20-12-14(2)3)17-10-9-16(5)19(11-17)21-6/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3
InChIKeyFDIKNDROPXKRNY-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.77
Rot. Bonds9

About 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine

2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 107887077) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID107887077
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC(C)C)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H33NO/c1-7-8-15(4)18(13-20-12-14(2)3)17-10-9-16(5)19(11-17)21-6/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3
InChIKeyFDIKNDROPXKRNY-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072
N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 107887070
2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887110
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
CID 71320824
[1-(3-methoxy-4-methylphenyl)-4-methylpentyl]hydrazine
CID 105294130
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine (CID 107887077) is 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine is CCCC(C)C(CNCC(C)C)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is FDIKNDROPXKRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-8-15(4)18(13-20-12-14(2)3)17-10-9-16(5)19(11-17)21-6/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 107887077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).