N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17ClFN — CID 114452822

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1cc(Cl)cc(CNC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17ClFN/c18-15-7-12(8-16(19)10-15)11-20-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,7-8,10,17,20H,5-6,9,11H2
InChIKeyCOMNYTLMRFQARU-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.13
Rot. Bonds3

About N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 114452822) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID114452822
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1cc(Cl)cc(CNC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17ClFN/c18-15-7-12(8-16(19)10-15)11-20-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,7-8,10,17,20H,5-6,9,11H2
InChIKeyCOMNYTLMRFQARU-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 114452822) is N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Fc1cc(Cl)cc(CNC2CCc3ccccc3C2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is COMNYTLMRFQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-15-7-12(8-16(19)10-15)11-20-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,7-8,10,17,20H,5-6,9,11H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 289.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 114452822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).