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

C16H15ClFN — CID 43119146

IUPACN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc(NC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C16H15ClFN/c17-14-10-12(8-9-15(14)18)19-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16,19H,3,5,7H2
InChIKeyRAGZEAPATZXJCJ-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.97
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43119146) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43119146
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc(NC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C16H15ClFN/c17-14-10-12(8-9-15(14)18)19-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16,19H,3,5,7H2
InChIKeyRAGZEAPATZXJCJ-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 3495609
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 63451260
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 146303538

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43119146) is N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is Fc1ccc(NC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RAGZEAPATZXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-10-12(8-9-15(14)18)19-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16,19H,3,5,7H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.75 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43119146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).