2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C19H33NO — CID 116725058

IUPAC2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)C(OC)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-9-10-20-17(18(21-8)19(5,6)7)16-12-14(3)13(2)11-15(16)4/h11-12,17-18,20H,9-10H2,1-8H3
InChIKeyUWRBWMUSZMMBLO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.71
Rot. Bonds6

About 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine

2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 116725058) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID116725058
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)C(OC)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-9-10-20-17(18(21-8)19(5,6)7)16-12-14(3)13(2)11-15(16)4/h11-12,17-18,20H,9-10H2,1-8H3
InChIKeyUWRBWMUSZMMBLO-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 106646130
N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 64989903
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114661446
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357
N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 103433934
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
CID 105032924

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 116725058) is 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine is CCCNC(c1cc(C)c(C)cc1C)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is UWRBWMUSZMMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-9-10-20-17(18(21-8)19(5,6)7)16-12-14(3)13(2)11-15(16)4/h11-12,17-18,20H,9-10H2,1-8H3.
What are the key properties of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 116725058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).