N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine

C22H17ClN2 — CID 134957594

IUPACN-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine
SMILESCc1cccnc1-c1c(Nc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C22H17ClN2/c1-15-5-4-14-24-22(15)21-19-7-3-2-6-16(19)8-13-20(21)25-18-11-9-17(23)10-12-18/h2-14,25H,1H3
InChIKeyGHJJRQVFIOVJGM-UHFFFAOYSA-N
MW344.85 g/mol
LogP6.61
Rot. Bonds3

About N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine

N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine (PubChem CID 134957594) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine
PubChem CID134957594
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC NameN-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine
SMILESCc1cccnc1-c1c(Nc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C22H17ClN2/c1-15-5-4-14-24-22(15)21-19-7-3-2-6-16(19)8-13-20(21)25-18-11-9-17(23)10-12-18/h2-14,25H,1H3
InChIKeyGHJJRQVFIOVJGM-UHFFFAOYSA-N
XLogP6.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine?
The IUPAC name of N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine (CID 134957594) is N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine is Cc1cccnc1-c1c(Nc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine?
The InChIKey is GHJJRQVFIOVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c1-15-5-4-14-24-22(15)21-19-7-3-2-6-16(19)8-13-20(21)25-18-11-9-17(23)10-12-18/h2-14,25H,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine?
N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine has a molecular weight of 344.85 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)naphthalen-2-amine is sourced from PubChem (CID 134957594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).