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

C14H21ClFN — CID 63036008

IUPAC2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFN/c1-10(2)8-17-9-14(3,4)12-6-5-11(16)7-13(12)15/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUBRVJSFNPBPZKN-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.00
Rot. Bonds5

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

2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 63036008) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID63036008
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFN/c1-10(2)8-17-9-14(3,4)12-6-5-11(16)7-13(12)15/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUBRVJSFNPBPZKN-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111569104
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 63036008) is 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is UBRVJSFNPBPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-10(2)8-17-9-14(3,4)12-6-5-11(16)7-13(12)15/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.00, 5 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-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63036008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).