N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine

C18H29BrFN — CID 82963081

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C18H29BrFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)17-12-11-16(19)14-18(17)20/h11-12,14-15,21H,3-10,13H2,1-2H3
InChIKeyRBHJLFVDHLSUQH-UHFFFAOYSA-N
MW358.34 g/mol
LogP6.38
Rot. Bonds11

About N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine

N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine (PubChem CID 82963081) has the molecular formula C18H29BrFN and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
PubChem CID82963081
Molecular FormulaC18H29BrFN
Molecular Weight358.34 g/mol
Exact Mass357.15
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C18H29BrFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)17-12-11-16(19)14-18(17)20/h11-12,14-15,21H,3-10,13H2,1-2H3
InChIKeyRBHJLFVDHLSUQH-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.34
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102613420
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82964773
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine (CID 82963081) is N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine is CCCCCCCCCCNC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine?
The InChIKey is RBHJLFVDHLSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)17-12-11-16(19)14-18(17)20/h11-12,14-15,21H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine has a molecular weight of 358.34 g/mol, XLogP of 6.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine is sourced from PubChem (CID 82963081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).