1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

C16H19ClN2O — CID 79260536

IUPAC1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cccc(COc2ccc(CC(C)N)cc2Cl)n1
InChIInChI=1S/C16H19ClN2O/c1-11(18)8-13-6-7-16(15(17)9-13)20-10-14-5-3-4-12(2)19-14/h3-7,9,11H,8,10,18H2,1-2H3
InChIKeyNUTLMIJXKFUKTH-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.51
Rot. Bonds5

About 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 79260536) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID79260536
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cccc(COc2ccc(CC(C)N)cc2Cl)n1
InChIInChI=1S/C16H19ClN2O/c1-11(18)8-13-6-7-16(15(17)9-13)20-10-14-5-3-4-12(2)19-14/h3-7,9,11H,8,10,18H2,1-2H3
InChIKeyNUTLMIJXKFUKTH-UHFFFAOYSA-N
XLogP3.51
TPSA48.14 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82876572
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 79262649
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64564905
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline
CID 13376043

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (CID 79260536) is 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is Cc1cccc(COc2ccc(CC(C)N)cc2Cl)n1.
What is the InChIKey of 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is NUTLMIJXKFUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(18)8-13-6-7-16(15(17)9-13)20-10-14-5-3-4-12(2)19-14/h3-7,9,11H,8,10,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 79260536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).