N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine

C18H29ClFN — CID 83059630

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H29ClFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)16-11-12-17(19)18(20)14-16/h11-12,14-15,21H,3-10,13H2,1-2H3
InChIKeyLJNYOPRCIVYIKJ-UHFFFAOYSA-N
MW313.89 g/mol
LogP6.27
Rot. Bonds11

About N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine

N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine (PubChem CID 83059630) has the molecular formula C18H29ClFN and a molecular weight of 313.89 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
PubChem CID83059630
Molecular FormulaC18H29ClFN
Molecular Weight313.89 g/mol
Exact Mass313.20
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H29ClFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)16-11-12-17(19)18(20)14-16/h11-12,14-15,21H,3-10,13H2,1-2H3
InChIKeyLJNYOPRCIVYIKJ-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.89
LogP ≤ 56.27
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

5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-(4-chloro-3-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82994703
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
(E)-N-[1-(4-chloro-3-fluorophenyl)ethyl]pent-3-en-1-amine
CID 115890259
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine (CID 83059630) is N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine is CCCCCCCCCCNC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine?
The InChIKey is LJNYOPRCIVYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClFN/c1-3-4-5-6-7-8-9-10-13-21-15(2)16-11-12-17(19)18(20)14-16/h11-12,14-15,21H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 6.27, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine is sourced from PubChem (CID 83059630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).