N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine

C17H30N2 — CID 115463617

IUPACN-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1CN(CC)CCC
InChIInChI=1S/C17H30N2/c1-4-12-18-13-11-16-9-7-8-10-17(16)15-19(6-3)14-5-2/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyYDWPKLYJNHQJJC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.46
Rot. Bonds10

About N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine

N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 115463617) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
PubChem CID115463617
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1CN(CC)CCC
InChIInChI=1S/C17H30N2/c1-4-12-18-13-11-16-9-7-8-10-17(16)15-19(6-3)14-5-2/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyYDWPKLYJNHQJJC-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463985
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 113314749
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine (CID 115463617) is N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccccc1CN(CC)CCC.
What is the InChIKey of N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is YDWPKLYJNHQJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-12-18-13-11-16-9-7-8-10-17(16)15-19(6-3)14-5-2/h7-10,18H,4-6,11-15H2,1-3H3.
What are the key properties of N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115463617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).