N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C13H21ClN2O2 — CID 62305635

IUPACN-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1ccnc(Cl)c1
InChIInChI=1S/C13H21ClN2O2/c1-17-8-3-6-16(7-9-18-2)11-12-4-5-15-13(14)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyUQEVKFFZXBFJGB-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.22
Rot. Bonds9

About N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62305635) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID62305635
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1ccnc(Cl)c1
InChIInChI=1S/C13H21ClN2O2/c1-17-8-3-6-16(7-9-18-2)11-12-4-5-15-13(14)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyUQEVKFFZXBFJGB-UHFFFAOYSA-N
XLogP2.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63287766
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398
3-[(2-chloro-4-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109913
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2-[(2-chloro-4-pyridinyl)methyl-(cyanomethyl)amino]acetonitrile
CID 62469809
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 62305635) is N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCCN(CCOC)Cc1ccnc(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is UQEVKFFZXBFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-17-8-3-6-16(7-9-18-2)11-12-4-5-15-13(14)10-12/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 272.78 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62305635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).