N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine

C16H17ClFN — CID 43494881

IUPACN-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFN/c1-2-10-19-16(12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h3-9,11,16,19H,2,10H2,1H3
InChIKeyUFLNZHHZUSPVAH-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.57
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine

N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine (PubChem CID 43494881) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
PubChem CID43494881
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFN/c1-2-10-19-16(12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h3-9,11,16,19H,2,10H2,1H3
InChIKeyUFLNZHHZUSPVAH-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine (CID 43494881) is N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine?
The InChIKey is UFLNZHHZUSPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-10-19-16(12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine?
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.57, 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)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 43494881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).