4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine

C18H31NO — CID 82922595

IUPAC4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccccc1OC)CC(CC)CC
InChIInChI=1S/C18H31NO/c1-5-12-19-17(13-15(6-2)7-3)14-16-10-8-9-11-18(16)20-4/h8-11,15,17,19H,5-7,12-14H2,1-4H3
InChIKeyMQNDDEOSNCVJNZ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds10

About 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine

4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine (PubChem CID 82922595) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
PubChem CID82922595
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccccc1OC)CC(CC)CC
InChIInChI=1S/C18H31NO/c1-5-12-19-17(13-15(6-2)7-3)14-16-10-8-9-11-18(16)20-4/h8-11,15,17,19H,5-7,12-14H2,1-4H3
InChIKeyMQNDDEOSNCVJNZ-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine?
The IUPAC name of 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine (CID 82922595) is 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine.
What is the SMILES notation for 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine?
The canonical SMILES for 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine is CCCNC(Cc1ccccc1OC)CC(CC)CC.
What is the InChIKey of 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine?
The InChIKey is MQNDDEOSNCVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-12-19-17(13-15(6-2)7-3)14-16-10-8-9-11-18(16)20-4/h8-11,15,17,19H,5-7,12-14H2,1-4H3.
What are the key properties of 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine?
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine is sourced from PubChem (CID 82922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).