3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine

C19H33NO — CID 63526528

IUPAC3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(OC)cc1)NCCC
InChIInChI=1S/C19H33NO/c1-5-8-9-17(7-3)19(20-14-6-2)15-16-10-12-18(21-4)13-11-16/h10-13,17,19-20H,5-9,14-15H2,1-4H3
InChIKeyQUSIBOGRYCCHEP-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds11

About 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine

3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine (PubChem CID 63526528) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
PubChem CID63526528
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(OC)cc1)NCCC
InChIInChI=1S/C19H33NO/c1-5-8-9-17(7-3)19(20-14-6-2)15-16-10-12-18(21-4)13-11-16/h10-13,17,19-20H,5-9,14-15H2,1-4H3
InChIKeyQUSIBOGRYCCHEP-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894
1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine
CID 66835432
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
[3-ethyl-1-(4-propan-2-ylphenyl)heptan-2-yl]hydrazine
CID 105297263
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine (CID 63526528) is 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine is CCCCC(CC)C(Cc1ccc(OC)cc1)NCCC.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine?
The InChIKey is QUSIBOGRYCCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-8-9-17(7-3)19(20-14-6-2)15-16-10-12-18(21-4)13-11-16/h10-13,17,19-20H,5-9,14-15H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine?
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine is sourced from PubChem (CID 63526528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).