1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C16H17BrN2 — CID 116517909

IUPAC1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(Br)cn1)C1CC1c1ccccc1
InChIInChI=1S/C16H17BrN2/c1-18-16(15-8-7-12(17)10-19-15)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3
InChIKeyMIWVVRKBMBSCQY-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.91
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 116517909) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID116517909
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(Br)cn1)C1CC1c1ccccc1
InChIInChI=1S/C16H17BrN2/c1-18-16(15-8-7-12(17)10-19-15)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3
InChIKeyMIWVVRKBMBSCQY-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
[2-(5-bromo-2-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334602
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105189104
N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105189051
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 116517909) is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1ccc(Br)cn1)C1CC1c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is MIWVVRKBMBSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-18-16(15-8-7-12(17)10-19-15)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).