(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine

C17H19Cl2N — CID 43108281

IUPAC(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3
InChIKeyIWSFKNZONTVJPF-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.55
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine

(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine (PubChem CID 43108281) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
PubChem CID43108281
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3
InChIKeyIWSFKNZONTVJPF-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine (CID 43108281) is (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine is CCC(C)c1ccc(C(N)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is IWSFKNZONTVJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine?
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 308.25 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 43108281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).