1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine

C15H23ClFNO — CID 55145614

IUPAC1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNO/c1-3-9-18-12(6-5-10-19-2)11-13-14(16)7-4-8-15(13)17/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3
InChIKeyRQXIQQSBAZJDET-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.82
Rot. Bonds9

About 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine (PubChem CID 55145614) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
PubChem CID55145614
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNO/c1-3-9-18-12(6-5-10-19-2)11-13-14(16)7-4-8-15(13)17/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3
InChIKeyRQXIQQSBAZJDET-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine (CID 55145614) is 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine is CCCNC(CCCOC)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine?
The InChIKey is RQXIQQSBAZJDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-3-9-18-12(6-5-10-19-2)11-13-14(16)7-4-8-15(13)17/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 55145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).