(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C16H19ClN2O — CID 105027392

IUPAC(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-10(2)20-14-6-13(8-19-9-14)16(18)12-5-4-11(3)15(17)7-12/h4-10,16H,18H2,1-3H3
InChIKeyUSZUIQHQFHTVIW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.88
Rot. Bonds4

About (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027392) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027392
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-10(2)20-14-6-13(8-19-9-14)16(18)12-5-4-11(3)15(17)7-12/h4-10,16H,18H2,1-3H3
InChIKeyUSZUIQHQFHTVIW-UHFFFAOYSA-N
XLogP3.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027392) is (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is USZUIQHQFHTVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(2)20-14-6-13(8-19-9-14)16(18)12-5-4-11(3)15(17)7-12/h4-10,16H,18H2,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 290.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).