N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine

C14H15ClN2O — CID 113371329

IUPACN-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NCc1cccc(CCl)c1
InChIInChI=1S/C14H15ClN2O/c1-18-13-6-3-7-16-14(13)17-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeySEOGUGXDPGYTTO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.44
Rot. Bonds5

About N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine

N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine (PubChem CID 113371329) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
PubChem CID113371329
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NCc1cccc(CCl)c1
InChIInChI=1S/C14H15ClN2O/c1-18-13-6-3-7-16-14(13)17-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeySEOGUGXDPGYTTO-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.44
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

N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547904
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
N-[(3-fluorophenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 112547893
N-[3-(chloromethyl)phenyl]-5-methoxyisoquinolin-1-amine
CID 106542683
1-tert-butyl-3-[[3-(chloromethyl)phenyl]methylamino]pyrazin-2-one
CID 65028436
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine (CID 113371329) is N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine is COc1cccnc1NCc1cccc(CCl)c1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine?
The InChIKey is SEOGUGXDPGYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-13-6-3-7-16-14(13)17-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine?
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 113371329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).