N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C18H19Cl2N — CID 43147349

IUPACN-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(Nc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-18(2)10-9-17(13-5-3-4-6-14(13)18)21-12-7-8-15(19)16(20)11-12/h3-8,11,17,21H,9-10H2,1-2H3
InChIKeyWQCLAQJVFNIMAZ-UHFFFAOYSA-N
MW320.26 g/mol
LogP6.22
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 43147349) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID43147349
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(Nc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-18(2)10-9-17(13-5-3-4-6-14(13)18)21-12-7-8-15(19)16(20)11-12/h3-8,11,17,21H,9-10H2,1-2H3
InChIKeyWQCLAQJVFNIMAZ-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 43147349) is N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(Nc2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is WQCLAQJVFNIMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-18(2)10-9-17(13-5-3-4-6-14(13)18)21-12-7-8-15(19)16(20)11-12/h3-8,11,17,21H,9-10H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 320.26 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 43147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).