2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine

C16H25ClFN — CID 63512438

IUPAC2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)14-8-7-13(18)9-15(14)17/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeyPAEDAPGCYKHKFS-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine

2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63512438) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63512438
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)14-8-7-13(18)9-15(14)17/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeyPAEDAPGCYKHKFS-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
CID 63038280
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 63512438) is 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCC(CC)(CNCC(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PAEDAPGCYKHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-5-16(6-2,11-19-10-12(3)4)14-8-7-13(18)9-15(14)17/h7-9,12,19H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine?
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63512438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).