N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine

C18H20BrNO — CID 63515887

IUPACN-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
SMILESBrc1ccc(-c2ccc(OCCCNC3CC3)cc2)cc1
InChIInChI=1S/C18H20BrNO/c19-16-6-2-14(3-7-16)15-4-10-18(11-5-15)21-13-1-12-20-17-8-9-17/h2-7,10-11,17,20H,1,8-9,12-13H2
InChIKeyOPDLHTMBVHPAEL-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.64
Rot. Bonds7

About N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine

N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine (PubChem CID 63515887) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
PubChem CID63515887
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
SMILESBrc1ccc(-c2ccc(OCCCNC3CC3)cc2)cc1
InChIInChI=1S/C18H20BrNO/c19-16-6-2-14(3-7-16)15-4-10-18(11-5-15)21-13-1-12-20-17-8-9-17/h2-7,10-11,17,20H,1,8-9,12-13H2
InChIKeyOPDLHTMBVHPAEL-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63492101
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
CID 82831390
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine (CID 63515887) is N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine is Brc1ccc(-c2ccc(OCCCNC3CC3)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine?
The InChIKey is OPDLHTMBVHPAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-6-2-14(3-7-16)15-4-10-18(11-5-15)21-13-1-12-20-17-8-9-17/h2-7,10-11,17,20H,1,8-9,12-13H2.
What are the key properties of N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine?
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine has a molecular weight of 346.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine is sourced from PubChem (CID 63515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).