(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine

C15H17BrN2 — CID 116544831

IUPAC(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cncc(Br)c2)c1
InChIInChI=1S/C15H17BrN2/c1-2-4-11-5-3-6-12(7-11)15(17)13-8-14(16)10-18-9-13/h3,5-10,15H,2,4,17H2,1H3
InChIKeySEWIBQKTNDGNCE-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.84
Rot. Bonds4

About (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine

(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine (PubChem CID 116544831) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
PubChem CID116544831
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cncc(Br)c2)c1
InChIInChI=1S/C15H17BrN2/c1-2-4-11-5-3-6-12(7-11)15(17)13-8-14(16)10-18-9-13/h3,5-10,15H,2,4,17H2,1H3
InChIKeySEWIBQKTNDGNCE-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
CID 116545102
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine (CID 116544831) is (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cncc(Br)c2)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine?
The InChIKey is SEWIBQKTNDGNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-2-4-11-5-3-6-12(7-11)15(17)13-8-14(16)10-18-9-13/h3,5-10,15H,2,4,17H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine?
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine has a molecular weight of 305.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 116544831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).