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

C15H23ClFN — CID 64665030

IUPAC4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(17)8-15(13)16/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyBWSUVTFYAIBQEW-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.29
Rot. Bonds7

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

4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 64665030) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID64665030
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(17)8-15(13)16/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyBWSUVTFYAIBQEW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-4-fluorobenzene
CID 63460741
1-(3-bromo-4-methoxybutyl)-2-chloro-4-fluorobenzene
CID 62321153
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66406611
N-[(2-chloro-4-fluorophenyl)methyl]-7-methyloctan-1-amine
CID 103604958

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 64665030) is 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)CCc1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BWSUVTFYAIBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(17)8-15(13)16/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64665030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).