4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H23ClFN — CID 112654588

IUPAC4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)7-8-13-5-4-6-14(17)15(13)16/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyLPQYDHVSHMXZHH-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.29
Rot. Bonds7

About 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 112654588) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID112654588
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)7-8-13-5-4-6-14(17)15(13)16/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyLPQYDHVSHMXZHH-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-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 112654826
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
CID 112654544
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 112654588) is 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)CCc1cccc(F)c1Cl.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is LPQYDHVSHMXZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-11(2)9-18-10-12(3)7-8-13-5-4-6-14(17)15(13)16/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of 4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(2-chloro-3-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-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 112654588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).