N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine

C15H19BrFN — CID 63505014

IUPACN-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFN/c1-2-7-18-15(11-5-3-4-6-11)12-8-13(16)10-14(17)9-12/h5,8-10,15,18H,2-4,6-7H2,1H3
InChIKeySLZMQSPXMNUJME-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.74
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine

N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine (PubChem CID 63505014) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
PubChem CID63505014
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFN/c1-2-7-18-15(11-5-3-4-6-11)12-8-13(16)10-14(17)9-12/h5,8-10,15,18H,2-4,6-7H2,1H3
InChIKeySLZMQSPXMNUJME-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106653510
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[(3-bromo-5-chlorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 107947128
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 81471927
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718
N-[(3-bromo-5-chlorophenyl)-(cyclopenten-1-yl)methyl]ethanamine
CID 107950541
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine (CID 63505014) is N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine is CCCNC(C1=CCCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine?
The InChIKey is SLZMQSPXMNUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c1-2-7-18-15(11-5-3-4-6-11)12-8-13(16)10-14(17)9-12/h5,8-10,15,18H,2-4,6-7H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine?
N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine has a molecular weight of 312.23 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 63505014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).