N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine

C17H30N2O — CID 81322203

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)CCc1ccccc1CN
InChIInChI=1S/C17H30N2O/c1-4-17(5-2)19(12-13-20-3)11-10-15-8-6-7-9-16(15)14-18/h6-9,17H,4-5,10-14,18H2,1-3H3
InChIKeyASFOZKRVMFJVOH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds10

About N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine

N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 81322203) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID81322203
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)CCc1ccccc1CN
InChIInChI=1S/C17H30N2O/c1-4-17(5-2)19(12-13-20-3)11-10-15-8-6-7-9-16(15)14-18/h6-9,17H,4-5,10-14,18H2,1-3H3
InChIKeyASFOZKRVMFJVOH-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine (CID 81322203) is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)CCc1ccccc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is ASFOZKRVMFJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-17(5-2)19(12-13-20-3)11-10-15-8-6-7-9-16(15)14-18/h6-9,17H,4-5,10-14,18H2,1-3H3.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 81322203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).