N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine

C11H16Cl2N2O — CID 116518970

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)8-9-7-14-11(13)6-10(9)12/h6-7H,3-5,8H2,1-2H3
InChIKeyQLXJFGHBTSMWCZ-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.86
Rot. Bonds6

About N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine

N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 116518970) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID116518970
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)8-9-7-14-11(13)6-10(9)12/h6-7H,3-5,8H2,1-2H3
InChIKeyQLXJFGHBTSMWCZ-UHFFFAOYSA-N
XLogP2.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 3-[(4,6-dichloro-3-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 116519887
1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518837
1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518954
5-chloro-2-[[3-methoxypropyl(methyl)amino]methyl]aniline
CID 62984797
1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518849
N-[(6-chloro-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 79038272
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 114921039
2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide
CID 138018447
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 116519425
5-[[3-methoxypropyl(methyl)amino]methyl]pyridin-2-amine
CID 63007737
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine (CID 116518970) is N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine is COCCCN(C)Cc1cnc(Cl)cc1Cl.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is QLXJFGHBTSMWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-15(4-3-5-16-2)8-9-7-14-11(13)6-10(9)12/h6-7H,3-5,8H2,1-2H3.
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine?
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 263.17 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 116518970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).