N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine

C14H19ClF3N — CID 121474488

IUPACN-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(CCCC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClF3N/c1-11(2)19(9-3-8-14(16,17)18)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyLZENDZFRBNNDLK-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.89
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine

N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine (PubChem CID 121474488) has the molecular formula C14H19ClF3N and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
PubChem CID121474488
Molecular FormulaC14H19ClF3N
Molecular Weight293.76 g/mol
Exact Mass293.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(CCCC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClF3N/c1-11(2)19(9-3-8-14(16,17)18)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyLZENDZFRBNNDLK-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine (CID 121474488) is N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine is CC(C)N(CCCC(F)(F)F)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine?
The InChIKey is LZENDZFRBNNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N/c1-11(2)19(9-3-8-14(16,17)18)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine?
N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine has a molecular weight of 293.76 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 121474488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).