N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine

C18H21BrN2 — CID 104813898

IUPACN-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
SMILESBrc1ccc(CCC(CNC2CC2)c2ccccc2)nc1
InChIInChI=1S/C18H21BrN2/c19-16-7-9-17(21-13-16)8-6-15(12-20-18-10-11-18)14-4-2-1-3-5-14/h1-5,7,9,13,15,18,20H,6,8,10-12H2
InChIKeyYSOLTWVSUUTIGN-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.31
Rot. Bonds7

About N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine

N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine (PubChem CID 104813898) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
PubChem CID104813898
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC NameN-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
SMILESBrc1ccc(CCC(CNC2CC2)c2ccccc2)nc1
InChIInChI=1S/C18H21BrN2/c19-16-7-9-17(21-13-16)8-6-15(12-20-18-10-11-18)14-4-2-1-3-5-14/h1-5,7,9,13,15,18,20H,6,8,10-12H2
InChIKeyYSOLTWVSUUTIGN-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
CID 81027997
N-(2-phenylhex-5-ynyl)cyclopropanamine
CID 81024680
N-(2-phenylhex-5-enyl)cyclopropanamine
CID 81024536
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
CID 79438346
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine (CID 104813898) is N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine is Brc1ccc(CCC(CNC2CC2)c2ccccc2)nc1.
What is the InChIKey of N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine?
The InChIKey is YSOLTWVSUUTIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-16-7-9-17(21-13-16)8-6-15(12-20-18-10-11-18)14-4-2-1-3-5-14/h1-5,7,9,13,15,18,20H,6,8,10-12H2.
What are the key properties of N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine?
N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine has a molecular weight of 345.28 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine is sourced from PubChem (CID 104813898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).