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

C17H29NO — CID 82985129

IUPACN-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-8-14(9-6-2)17(18-7-3)15-10-12-16(19-4)13-11-15/h10-14,17-18H,5-9H2,1-4H3
InChIKeySYPQFNIBIMMASA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds9

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

N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine (PubChem CID 82985129) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
PubChem CID82985129
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-8-14(9-6-2)17(18-7-3)15-10-12-16(19-4)13-11-15/h10-14,17-18H,5-9H2,1-4H3
InChIKeySYPQFNIBIMMASA-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine (CID 82985129) is N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(NCC)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine?
The InChIKey is SYPQFNIBIMMASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-8-14(9-6-2)17(18-7-3)15-10-12-16(19-4)13-11-15/h10-14,17-18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine?
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82985129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).