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

C16H14Cl2FN — CID 107572538

IUPACN-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1c(Cl)cc(NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c17-14-8-13(9-15(18)16(14)19)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,20H,5-7H2
InChIKeyBXCNOFUAWCJNJO-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.10
Rot. Bonds2

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

N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 107572538) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID107572538
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1c(Cl)cc(NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c17-14-8-13(9-15(18)16(14)19)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,20H,5-7H2
InChIKeyBXCNOFUAWCJNJO-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 63450820
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
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82816513
N-[(2-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 102615642
6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
CID 23635616
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 107572538) is N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Fc1c(Cl)cc(NC2CCc3ccccc3C2)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BXCNOFUAWCJNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-14-8-13(9-15(18)16(14)19)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,20H,5-7H2.
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 310.20 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 107572538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).