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

C18H31NO — CID 103031317

IUPAC1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1
InChIInChI=1S/C18H31NO/c1-7-10-19-17(8-9-18(4,5)20-6)16-12-14(2)11-15(3)13-16/h11-13,17,19H,7-10H2,1-6H3
InChIKeyOVWLSTVDZTUMKQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.55
Rot. Bonds8

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

1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031317) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031317
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1
InChIInChI=1S/C18H31NO/c1-7-10-19-17(8-9-18(4,5)20-6)16-12-14(2)11-15(3)13-16/h11-13,17,19H,7-10H2,1-6H3
InChIKeyOVWLSTVDZTUMKQ-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031164

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031317) is 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is OVWLSTVDZTUMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-10-19-17(8-9-18(4,5)20-6)16-12-14(2)11-15(3)13-16/h11-13,17,19H,7-10H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).