(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C17H19ClIN — CID 103219936

IUPAC(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccc(I)c(Cl)c2)c1C
InChIInChI=1S/C17H19ClIN/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8,17H,20H2,1-4H3
InChIKeyHAHSYTLDDCJBIP-UHFFFAOYSA-N
MW399.70 g/mol
LogP5.23
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 103219936) has the molecular formula C17H19ClIN and a molecular weight of 399.70 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID103219936
Molecular FormulaC17H19ClIN
Molecular Weight399.70 g/mol
Exact Mass399.03
IUPAC Name(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccc(I)c(Cl)c2)c1C
InChIInChI=1S/C17H19ClIN/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8,17H,20H2,1-4H3
InChIKeyHAHSYTLDDCJBIP-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.70
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220560
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(2,6-dichlorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43103917
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43107406
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 103219936) is (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2ccc(I)c(Cl)c2)c1C.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is HAHSYTLDDCJBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClIN/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8,17H,20H2,1-4H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 399.70 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 103219936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).