N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine

C13H19ClFN — CID 114842197

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C13H19ClFN/c1-4-13(9(2)3)16-8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZLRIAJZOSGVLET-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.00
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine (PubChem CID 114842197) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
PubChem CID114842197
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C13H19ClFN/c1-4-13(9(2)3)16-8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZLRIAJZOSGVLET-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899865
4-chloro-N-[(5-chloro-2-fluorophenyl)methyl]butan-2-amine
CID 103050046
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144
3-[(5-chloro-2-fluorophenyl)methylamino]butanenitrile
CID 104586886
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]-3-methylpentanoate
CID 114841893
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
N-[(5-chloro-2-fluorophenyl)methyl]pent-4-en-2-amine
CID 115762436

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine (CID 114842197) is N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine is CCC(NCc1cc(Cl)ccc1F)C(C)C.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is ZLRIAJZOSGVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-13(9(2)3)16-8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 243.75 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 N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 114842197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).