3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine

C18H31NO — CID 116761381

IUPAC3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)(CC)OC
InChIInChI=1S/C18H31NO/c1-6-13-19-17(18(7-2,8-3)20-5)14-16-12-10-9-11-15(16)4/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyUBFZGTXODBBINP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.11
Rot. Bonds9

About 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine

3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116761381) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID116761381
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)(CC)OC
InChIInChI=1S/C18H31NO/c1-6-13-19-17(18(7-2,8-3)20-5)14-16-12-10-9-11-15(16)4/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyUBFZGTXODBBINP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116761328
methyl 4-[(2-methylphenyl)methylsulfanyl]-2-(propylamino)butanoate
CID 63035292
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine (CID 116761381) is 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccccc1C)C(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is UBFZGTXODBBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-13-19-17(18(7-2,8-3)20-5)14-16-12-10-9-11-15(16)4/h9-12,17,19H,6-8,13-14H2,1-5H3.
What are the key properties of 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine?
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116761381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).