2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine

C12H18ClN — CID 84782173

IUPAC2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1cc(Cl)cc(C(C)(C)N)c1
InChIInChI=1S/C12H18ClN/c1-8(2)9-5-10(12(3,4)14)7-11(13)6-9/h5-8H,14H2,1-4H3
InChIKeyGUIZDPMRQZJPDH-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.66
Rot. Bonds2

About 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine

2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine (PubChem CID 84782173) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine
PubChem CID84782173
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1cc(Cl)cc(C(C)(C)N)c1
InChIInChI=1S/C12H18ClN/c1-8(2)9-5-10(12(3,4)14)7-11(13)6-9/h5-8H,14H2,1-4H3
InChIKeyGUIZDPMRQZJPDH-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
CID 117327992
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171271413
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171271415
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
1-amino-1-(3,5-dichlorophenyl)ethanol
CID 23370682

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine (CID 84782173) is 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine is CC(C)c1cc(Cl)cc(C(C)(C)N)c1.
What is the InChIKey of 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine?
The InChIKey is GUIZDPMRQZJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-8(2)9-5-10(12(3,4)14)7-11(13)6-9/h5-8H,14H2,1-4H3.
What are the key properties of 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine?
2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 84782173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).