N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine

C14H15ClN2O — CID 106505067

IUPACN-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCC(Cl)c2ccccc2)nc1
InChIInChI=1S/C14H15ClN2O/c1-18-12-7-8-14(16-9-12)17-10-13(15)11-5-3-2-4-6-11/h2-9,13H,10H2,1H3,(H,16,17)
InChIKeyDLHLDPIULMCRTF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.48
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine

N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine (PubChem CID 106505067) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
PubChem CID106505067
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCC(Cl)c2ccccc2)nc1
InChIInChI=1S/C14H15ClN2O/c1-18-12-7-8-14(16-9-12)17-10-13(15)11-5-3-2-4-6-11/h2-9,13H,10H2,1H3,(H,16,17)
InChIKeyDLHLDPIULMCRTF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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-(2-chloro-2-phenylethyl)-6-methoxypyrimidin-4-amine
CID 66317864
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153195
1-[(5-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 104696792
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
1-cyclopropyl-2-[(5-methoxy-2-pyridinyl)amino]ethanol
CID 106504104
5-methoxy-N-propylpyridin-2-amine
CID 106503925
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 43094028
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine?
The IUPAC name of N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine (CID 106505067) is N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine is COc1ccc(NCC(Cl)c2ccccc2)nc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine?
The InChIKey is DLHLDPIULMCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-12-7-8-14(16-9-12)17-10-13(15)11-5-3-2-4-6-11/h2-9,13H,10H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine?
N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine is sourced from PubChem (CID 106505067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).