N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

C15H21BrFN — CID 106798000

IUPACN-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-3-8-18-11(2)15(6-7-15)10-12-9-13(17)4-5-14(12)16/h4-5,9,11,18H,3,6-8,10H2,1-2H3
InChIKeyLWYXAVWZGUECNW-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.30
Rot. Bonds6

About N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798000) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106798000
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-3-8-18-11(2)15(6-7-15)10-12-9-13(17)4-5-14(12)16/h4-5,9,11,18H,3,6-8,10H2,1-2H3
InChIKeyLWYXAVWZGUECNW-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106798000) is N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is LWYXAVWZGUECNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-8-18-11(2)15(6-7-15)10-12-9-13(17)4-5-14(12)16/h4-5,9,11,18H,3,6-8,10H2,1-2H3.
What are the key properties of N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).