1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine

C19H33NO — CID 103031493

IUPAC1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H33NO/c1-7-12-20-18(10-11-19(4,5)21-6)14-17-9-8-15(2)16(3)13-17/h8-9,13,18,20H,7,10-12,14H2,1-6H3
InChIKeyPAEBURATTCOIQA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.42
Rot. Bonds9

About 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine

1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103031493) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103031493
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H33NO/c1-7-12-20-18(10-11-19(4,5)21-6)14-17-9-8-15(2)16(3)13-17/h8-9,13,18,20H,7,10-12,14H2,1-6H3
InChIKeyPAEBURATTCOIQA-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027435
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103031493) is 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is PAEBURATTCOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-12-20-18(10-11-19(4,5)21-6)14-17-9-8-15(2)16(3)13-17/h8-9,13,18,20H,7,10-12,14H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103031493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).