(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C16H19BrN2O — CID 105027433

IUPAC(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-10(2)20-15-7-13(8-19-9-15)16(18)12-4-11(3)5-14(17)6-12/h4-10,16H,18H2,1-3H3
InChIKeyKQSCTPCTLDAEBQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.99
Rot. Bonds4

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

(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027433) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027433
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-10(2)20-15-7-13(8-19-9-15)16(18)12-4-11(3)5-14(17)6-12/h4-10,16H,18H2,1-3H3
InChIKeyKQSCTPCTLDAEBQ-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027433) is (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1cc(Br)cc(C(N)c2cncc(OC(C)C)c2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is KQSCTPCTLDAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10(2)20-15-7-13(8-19-9-15)16(18)12-4-11(3)5-14(17)6-12/h4-10,16H,18H2,1-3H3.
What are the key properties of (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 335.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).