N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine

C16H15ClF3N — CID 103302959

IUPACN-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-7-21-16(10-3-5-11(17)6-4-10)12-8-14(19)15(20)9-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyUJTUOQUYVIXNHX-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.85
Rot. Bonds5

About N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine

N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 103302959) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID103302959
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC NameN-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-7-21-16(10-3-5-11(17)6-4-10)12-8-14(19)15(20)9-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyUJTUOQUYVIXNHX-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(3-chloro-4-iodophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302706
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine (CID 103302959) is N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is UJTUOQUYVIXNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-7-21-16(10-3-5-11(17)6-4-10)12-8-14(19)15(20)9-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 313.75 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 103302959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).