N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine

C22H28ClN — CID 166879527

IUPACN-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine
SMILESCc1cc(Cl)cc(N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C22H28ClN/c1-15-11-16(23)13-18(12-15)24(6)17-7-8-19-20(14-17)22(4,5)10-9-21(19,2)3/h7-8,11-14H,9-10H2,1-6H3
InChIKeyZPXVQGVCNSOYMV-UHFFFAOYSA-N
MW341.93 g/mol
LogP6.77
Rot. Bonds2

About N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine

N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 166879527) has the molecular formula C22H28ClN and a molecular weight of 341.93 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine
PubChem CID166879527
Molecular FormulaC22H28ClN
Molecular Weight341.93 g/mol
Exact Mass341.19
IUPAC NameN-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine
SMILESCc1cc(Cl)cc(N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C22H28ClN/c1-15-11-16(23)13-18(12-15)24(6)17-7-8-19-20(14-17)22(4,5)10-9-21(19,2)3/h7-8,11-14H,9-10H2,1-6H3
InChIKeyZPXVQGVCNSOYMV-UHFFFAOYSA-N
XLogP6.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.93
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine
CID 167133361
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
N-(4-tert-butyl-2,6-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-5-amine
CID 163675892
N-(2,3-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-5-amine
CID 163675888
CID 136843705
CID 136843705
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
CID 15858660
CID 15858660
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine
CID 164708629
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine (CID 166879527) is N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine is Cc1cc(Cl)cc(N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is ZPXVQGVCNSOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN/c1-15-11-16(23)13-18(12-15)24(6)17-7-8-19-20(14-17)22(4,5)10-9-21(19,2)3/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine?
N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 341.93 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 166879527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).