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

C16H15ClFN — CID 107364341

IUPACN-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1cc(Cl)cc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C16H15ClFN/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-4,8-10,15,19H,5-7H2
InChIKeyQCHUZXDLDVAQHB-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.45
Rot. Bonds2

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

N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 107364341) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID107364341
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1cc(Cl)cc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C16H15ClFN/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-4,8-10,15,19H,5-7H2
InChIKeyQCHUZXDLDVAQHB-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114452822
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364163
4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43755235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 107364341) is N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Fc1cc(Cl)cc(NC2CCc3ccccc3C2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is QCHUZXDLDVAQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-4,8-10,15,19H,5-7H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 275.75 g/mol, XLogP of 4.45, 2 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)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 107364341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).