3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine

C19H33NO — CID 63414016

IUPAC3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-5-8-10-16(7-3)14-19(20-13-6-2)17-11-9-12-18(15-17)21-4/h9,11-12,15-16,19-20H,5-8,10,13-14H2,1-4H3
InChIKeyCWQGVQQLVZLLEV-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.34
Rot. Bonds11

About 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine

3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine (PubChem CID 63414016) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
PubChem CID63414016
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-5-8-10-16(7-3)14-19(20-13-6-2)17-11-9-12-18(15-17)21-4/h9,11-12,15-16,19-20H,5-8,10,13-14H2,1-4H3
InChIKeyCWQGVQQLVZLLEV-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
[1-(3,5-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105288416
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
[3-ethyl-1-(3-methoxy-4-methylphenyl)heptyl]hydrazine
CID 105288242
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[1-(3-methoxyphenyl)-2-(2-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107759934

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine (CID 63414016) is 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1cccc(OC)c1.
What is the InChIKey of 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine?
The InChIKey is CWQGVQQLVZLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-8-10-16(7-3)14-19(20-13-6-2)17-11-9-12-18(15-17)21-4/h9,11-12,15-16,19-20H,5-8,10,13-14H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine?
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 63414016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).