1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine

C14H23ClN2O — CID 106354148

IUPAC1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine
SMILESCOc1cccc(CNC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)12(8-9-15)16-10-11-6-5-7-13(17-11)18-4/h5-7,12,16H,8-10H2,1-4H3
InChIKeyRZUZCWCMYZWHMR-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.22
Rot. Bonds6

About 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine

1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine (PubChem CID 106354148) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine
PubChem CID106354148
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine
SMILESCOc1cccc(CNC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)12(8-9-15)16-10-11-6-5-7-13(17-11)18-4/h5-7,12,16H,8-10H2,1-4H3
InChIKeyRZUZCWCMYZWHMR-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 65026847
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
N-[(5-bromo-2-pyridinyl)methyl]-1-chloro-4,4-dimethylpentan-3-amine
CID 106353967
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine (CID 106354148) is 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine is COc1cccc(CNC(CCCl)C(C)(C)C)n1.
What is the InChIKey of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine?
The InChIKey is RZUZCWCMYZWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-14(2,3)12(8-9-15)16-10-11-6-5-7-13(17-11)18-4/h5-7,12,16H,8-10H2,1-4H3.
What are the key properties of 1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine?
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine has a molecular weight of 270.80 g/mol, XLogP of 3.22, 6 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]-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 106354148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).