3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine

C18H31NO — CID 116721758

IUPAC3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(OCC)C(C)C
InChIInChI=1S/C18H31NO/c1-6-11-19-17(18(14(3)4)20-7-2)13-16-10-8-9-15(5)12-16/h8-10,12,14,17-19H,6-7,11,13H2,1-5H3
InChIKeyHPVKJZVTCYZDOH-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.97
Rot. Bonds9

About 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116721758) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
PubChem CID116721758
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(OCC)C(C)C
InChIInChI=1S/C18H31NO/c1-6-11-19-17(18(14(3)4)20-7-2)13-16-10-8-9-15(5)12-16/h8-10,12,14,17-19H,6-7,11,13H2,1-5H3
InChIKeyHPVKJZVTCYZDOH-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine (CID 116721758) is 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1cccc(C)c1)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is HPVKJZVTCYZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-11-19-17(18(14(3)4)20-7-2)13-16-10-8-9-15(5)12-16/h8-10,12,14,17-19H,6-7,11,13H2,1-5H3.
What are the key properties of 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116721758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).