(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine

C17H19Cl2N — CID 115851470

IUPAC(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
SMILESCC(C)(C)c1ccccc1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10,16H,20H2,1-3H3
InChIKeyPHXOSNJLFYHTLN-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.34
Rot. Bonds2

About (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine

(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine (PubChem CID 115851470) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
PubChem CID115851470
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
SMILESCC(C)(C)c1ccccc1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10,16H,20H2,1-3H3
InChIKeyPHXOSNJLFYHTLN-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(2,3-dichlorophenyl)methanediamine
CID 139660481
1-(2-tert-butylphenyl)-2,3-dichlorobenzene
CID 67807125
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine (CID 115851470) is (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine is CC(C)(C)c1ccccc1C(N)c1cccc(Cl)c1Cl.
What is the InChIKey of (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is PHXOSNJLFYHTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10,16H,20H2,1-3H3.
What are the key properties of (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine?
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 308.25 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 115851470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).