N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine

C18H25N3 — CID 115463733

IUPACN-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)Cc1ccccn1
InChIInChI=1S/C18H25N3/c1-3-19-13-11-16-8-4-5-9-17(16)14-21(2)15-18-10-6-7-12-20-18/h4-10,12,19H,3,11,13-15H2,1-2H3
InChIKeyBOIXHSBLDAUSCY-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.87
Rot. Bonds8

About N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine

N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine (PubChem CID 115463733) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
PubChem CID115463733
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)Cc1ccccn1
InChIInChI=1S/C18H25N3/c1-3-19-13-11-16-8-4-5-9-17(16)14-21(2)15-18-10-6-7-12-20-18/h4-10,12,19H,3,11,13-15H2,1-2H3
InChIKeyBOIXHSBLDAUSCY-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine (CID 115463733) is N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine is CCNCCc1ccccc1CN(C)Cc1ccccn1.
What is the InChIKey of N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is BOIXHSBLDAUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-19-13-11-16-8-4-5-9-17(16)14-21(2)15-18-10-6-7-12-20-18/h4-10,12,19H,3,11,13-15H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine?
N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 115463733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).