N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine

C15H20BrN — CID 104819277

IUPACN-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
SMILESBrc1ccc(CC(CNC2CC2)C2CC2)cc1
InChIInChI=1S/C15H20BrN/c16-14-5-1-11(2-6-14)9-13(12-3-4-12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2
InChIKeySOOCYTAAGBOLLC-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.77
Rot. Bonds6

About N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine

N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine (PubChem CID 104819277) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
PubChem CID104819277
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
SMILESBrc1ccc(CC(CNC2CC2)C2CC2)cc1
InChIInChI=1S/C15H20BrN/c16-14-5-1-11(2-6-14)9-13(12-3-4-12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2
InChIKeySOOCYTAAGBOLLC-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
CID 104819632
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
CID 107897175
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 82933526
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine (CID 104819277) is N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine is Brc1ccc(CC(CNC2CC2)C2CC2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine?
The InChIKey is SOOCYTAAGBOLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-14-5-1-11(2-6-14)9-13(12-3-4-12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2.
What are the key properties of N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine?
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine has a molecular weight of 294.24 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine is sourced from PubChem (CID 104819277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).