4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

C15H23ClFNO — CID 62451733

IUPAC4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyGXWLCMGEEXDMFT-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.27
Rot. Bonds8

About 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62451733) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62451733
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyGXWLCMGEEXDMFT-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.27
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

4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 63498772
N-[2-(2-chloro-4-fluorophenoxy)propyl]pentan-2-amine
CID 62599082
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
4-(4-bromo-2-chloro-5-fluorophenoxy)-N-ethylpentan-1-amine
CID 114270959
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
(3S)-3-(2-chloro-4-fluorophenoxy)-N-methylhexan-1-amine
CID 11529020

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 62451733) is 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)Oc1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is GXWLCMGEEXDMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62451733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).