N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine

C16H21N3O — CID 79243024

IUPACN-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-17-16-7-5-6-13(18-16)12-19(2)14-8-10-15(20-3)11-9-14/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyIHHQSOLMLOHCRR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine

N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine (PubChem CID 79243024) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
PubChem CID79243024
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-17-16-7-5-6-13(18-16)12-19(2)14-8-10-15(20-3)11-9-14/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyIHHQSOLMLOHCRR-UHFFFAOYSA-N
XLogP3.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 79243997
6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243198
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-2-amine
CID 79243357
N-ethyl-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 79243084
6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81073763
N-ethyl-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-2-amine
CID 79243744
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231253
N-ethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
CID 112664282
N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
CID 79232344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine (CID 79243024) is N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine is CCNc1cccc(CN(C)c2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine?
The InChIKey is IHHQSOLMLOHCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-16-7-5-6-13(18-16)12-19(2)14-8-10-15(20-3)11-9-14/h5-11H,4,12H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine?
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 79243024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).