N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine

C16H19ClN2O — CID 66159713

IUPACN-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(Cl)cc2CNC(C)C)cn1
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-10-13-8-14(17)5-6-15(13)12-4-7-16(20-3)19-9-12/h4-9,11,18H,10H2,1-3H3
InChIKeyVVQJWSOYUNXPRP-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.91
Rot. Bonds5

About N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine (PubChem CID 66159713) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
PubChem CID66159713
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(Cl)cc2CNC(C)C)cn1
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-10-13-8-14(17)5-6-15(13)12-4-7-16(20-3)19-9-12/h4-9,11,18H,10H2,1-3H3
InChIKeyVVQJWSOYUNXPRP-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methanamine
CID 66159518
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
CID 66160704
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
CID 175271280
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
CID 87311082
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine (CID 66159713) is N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine is COc1ccc(-c2ccc(Cl)cc2CNC(C)C)cn1.
What is the InChIKey of N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine?
The InChIKey is VVQJWSOYUNXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)18-10-13-8-14(17)5-6-15(13)12-4-7-16(20-3)19-9-12/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66159713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).