N-[2-(4-methoxyphenyl)ethyl]octan-4-amine

C17H29NO — CID 106024444

IUPACN-[2-(4-methoxyphenyl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-8-16(7-5-2)18-14-13-15-9-11-17(19-3)12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3
InChIKeyXBJHFJBQXHHLDD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]octan-4-amine

N-[2-(4-methoxyphenyl)ethyl]octan-4-amine (PubChem CID 106024444) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]octan-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]octan-4-amine
PubChem CID106024444
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-8-16(7-5-2)18-14-13-15-9-11-17(19-3)12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3
InChIKeyXBJHFJBQXHHLDD-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)octan-4-amine
CID 11128217
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43106121
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]octan-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]octan-4-amine (CID 106024444) is N-[2-(4-methoxyphenyl)ethyl]octan-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]octan-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]octan-4-amine is CCCCC(CCC)NCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]octan-4-amine?
The InChIKey is XBJHFJBQXHHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-8-16(7-5-2)18-14-13-15-9-11-17(19-3)12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]octan-4-amine?
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]octan-4-amine is sourced from PubChem (CID 106024444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).