N-[1-(2-methoxyphenyl)ethyl]octan-2-amine

C17H29NO — CID 43129932

IUPACN-[1-(2-methoxyphenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-6-7-8-11-14(2)18-15(3)16-12-9-10-13-17(16)19-4/h9-10,12-15,18H,5-8,11H2,1-4H3
InChIKeyHWNXQYBRNVDYIE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.70
Rot. Bonds9

About N-[1-(2-methoxyphenyl)ethyl]octan-2-amine

N-[1-(2-methoxyphenyl)ethyl]octan-2-amine (PubChem CID 43129932) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]octan-2-amine
PubChem CID43129932
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-6-7-8-11-14(2)18-15(3)16-12-9-10-13-17(16)19-4/h9-10,12-15,18H,5-8,11H2,1-4H3
InChIKeyHWNXQYBRNVDYIE-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(2-methoxyphenyl)ethyl]octan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]octan-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]octan-2-amine (CID 43129932) is N-[1-(2-methoxyphenyl)ethyl]octan-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]octan-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]octan-2-amine is CCCCCCC(C)NC(C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]octan-2-amine?
The InChIKey is HWNXQYBRNVDYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-8-11-14(2)18-15(3)16-12-9-10-13-17(16)19-4/h9-10,12-15,18H,5-8,11H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]octan-2-amine?
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]octan-2-amine is sourced from PubChem (CID 43129932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).