1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine

C15H23ClFN — CID 63420252

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
SMILESCCCCCC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H23ClFN/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3
InChIKeyUAZXOYRUYYNYTQ-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.58
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine (PubChem CID 63420252) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
PubChem CID63420252
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
SMILESCCCCCC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H23ClFN/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3
InChIKeyUAZXOYRUYYNYTQ-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-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine (CID 63420252) is 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine is CCCCCC(Cc1c(F)cccc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine?
The InChIKey is UAZXOYRUYYNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-3-5-6-8-12(18-4-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine is sourced from PubChem (CID 63420252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).