3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine

C18H31NO — CID 116759415

IUPAC3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(C)(CC)OCC
InChIInChI=1S/C18H31NO/c1-6-12-19-17(18(5,7-2)20-8-3)14-16-11-9-10-15(4)13-16/h9-11,13,17,19H,6-8,12,14H2,1-5H3
InChIKeyRAMMQOZMTDWXFV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.11
Rot. Bonds9

About 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116759415) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
PubChem CID116759415
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(C)(CC)OCC
InChIInChI=1S/C18H31NO/c1-6-12-19-17(18(5,7-2)20-8-3)14-16-11-9-10-15(4)13-16/h9-11,13,17,19H,6-8,12,14H2,1-5H3
InChIKeyRAMMQOZMTDWXFV-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-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine (CID 116759415) is 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1cccc(C)c1)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is RAMMQOZMTDWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-12-19-17(18(5,7-2)20-8-3)14-16-11-9-10-15(4)13-16/h9-11,13,17,19H,6-8,12,14H2,1-5H3.
What are the key properties of 3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-3-methyl-1-(3-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-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116759415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).