N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine

C15H20BrF2N — CID 106263912

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
SMILESFc1ccc(Br)c(F)c1CNCCCC1CCCC1
InChIInChI=1S/C15H20BrF2N/c16-13-7-8-14(17)12(15(13)18)10-19-9-3-6-11-4-1-2-5-11/h7-8,11,19H,1-6,9-10H2
InChIKeyPIXLMKXCLNQDEF-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.79
Rot. Bonds6

About N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine (PubChem CID 106263912) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
PubChem CID106263912
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
SMILESFc1ccc(Br)c(F)c1CNCCCC1CCCC1
InChIInChI=1S/C15H20BrF2N/c16-13-7-8-14(17)12(15(13)18)10-19-9-3-6-11-4-1-2-5-11/h7-8,11,19H,1-6,9-10H2
InChIKeyPIXLMKXCLNQDEF-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 106263478
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 106263910
N-[(3-bromo-2,6-difluorophenyl)methyl]pentan-1-amine
CID 106263073
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
CID 106263475
2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106263498
N-[(3-bromo-4-fluorophenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115639618
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 106263351
N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 106263898
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thian-4-yl)methanamine
CID 106263755
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
CID 106271862
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 106263581
N-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106263911

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine (CID 106263912) is N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine is Fc1ccc(Br)c(F)c1CNCCCC1CCCC1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The InChIKey is PIXLMKXCLNQDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c16-13-7-8-14(17)12(15(13)18)10-19-9-3-6-11-4-1-2-5-11/h7-8,11,19H,1-6,9-10H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine has a molecular weight of 332.23 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 106263912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).