1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

C11H17ClN2O — CID 65026847

IUPAC1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)CCl)n1
InChIInChI=1S/C11H17ClN2O/c1-11(2,8-12)13-7-9-5-4-6-10(14-9)15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyGDEIONSRZMRLHQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.20
Rot. Bonds5

About 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 65026847) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID65026847
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)CCl)n1
InChIInChI=1S/C11H17ClN2O/c1-11(2,8-12)13-7-9-5-4-6-10(14-9)15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyGDEIONSRZMRLHQ-UHFFFAOYSA-N
XLogP2.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79261330
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine
CID 106354148
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
1-tert-butyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 110965149
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 63991759
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (CID 65026847) is 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is COc1cccc(CNC(C)(C)CCl)n1.
What is the InChIKey of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GDEIONSRZMRLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,8-12)13-7-9-5-4-6-10(14-9)15-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 228.72 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65026847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).