1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine

C15H23ClFN — CID 82806799

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
SMILESCCCCCC(Cc1cccc(Cl)c1F)NCC
InChIInChI=1S/C15H23ClFN/c1-3-5-6-9-13(18-4-2)11-12-8-7-10-14(16)15(12)17/h7-8,10,13,18H,3-6,9,11H2,1-2H3
InChIKeyUXGBTVBFHRBFOD-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.58
Rot. Bonds8

About 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine

1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine (PubChem CID 82806799) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
PubChem CID82806799
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
SMILESCCCCCC(Cc1cccc(Cl)c1F)NCC
InChIInChI=1S/C15H23ClFN/c1-3-5-6-9-13(18-4-2)11-12-8-7-10-14(16)15(12)17/h7-8,10,13,18H,3-6,9,11H2,1-2H3
InChIKeyUXGBTVBFHRBFOD-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.58
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

1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine (CID 82806799) is 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine is CCCCCC(Cc1cccc(Cl)c1F)NCC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine?
The InChIKey is UXGBTVBFHRBFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-3-5-6-9-13(18-4-2)11-12-8-7-10-14(16)15(12)17/h7-8,10,13,18H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine has a molecular weight of 271.81 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine is sourced from PubChem (CID 82806799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).