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

C18H31NO — CID 116758355

IUPAC1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1C)C(C)(CC)OC
InChIInChI=1S/C18H31NO/c1-7-11-19-17(18(5,8-2)20-6)13-16-12-14(3)9-10-15(16)4/h9-10,12,17,19H,7-8,11,13H2,1-6H3
InChIKeyIPIZITBZFUCPQG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.03
Rot. Bonds8

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

1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 116758355) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
PubChem CID116758355
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1C)C(C)(CC)OC
InChIInChI=1S/C18H31NO/c1-7-11-19-17(18(5,8-2)20-6)13-16-12-14(3)9-10-15(16)4/h9-10,12,17,19H,7-8,11,13H2,1-6H3
InChIKeyIPIZITBZFUCPQG-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053836
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 116757856
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758395
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine (CID 116758355) is 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(C)ccc1C)C(C)(CC)OC.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is IPIZITBZFUCPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-11-19-17(18(5,8-2)20-6)13-16-12-14(3)9-10-15(16)4/h9-10,12,17,19H,7-8,11,13H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116758355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).