(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine

C17H19Cl2N — CID 115481980

IUPAC(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Cl)c(Cl)c2)cc1CC
InChIInChI=1S/C17H19Cl2N/c1-3-11-5-6-13(9-12(11)4-2)17(20)14-7-8-15(18)16(19)10-14/h5-10,17H,3-4,20H2,1-2H3
InChIKeyZYQKRRILCDSYAJ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.17
Rot. Bonds4

About (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine

(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine (PubChem CID 115481980) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
PubChem CID115481980
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Cl)c(Cl)c2)cc1CC
InChIInChI=1S/C17H19Cl2N/c1-3-11-5-6-13(9-12(11)4-2)17(20)14-7-8-15(18)16(19)10-14/h5-10,17H,3-4,20H2,1-2H3
InChIKeyZYQKRRILCDSYAJ-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
CID 115481933
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene
CID 107099347
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine (CID 115481980) is (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2ccc(Cl)c(Cl)c2)cc1CC.
What is the InChIKey of (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine?
The InChIKey is ZYQKRRILCDSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-11-5-6-13(9-12(11)4-2)17(20)14-7-8-15(18)16(19)10-14/h5-10,17H,3-4,20H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine?
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine has a molecular weight of 308.25 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 115481980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).