2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine

C15H23N — CID 82471982

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1C1CC1N
InChIInChI=1S/C15H23N/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(12)16/h6-7,12-13H,8,16H2,1-5H3
InChIKeyFDBAOPLMTULWJO-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.42
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine

2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 82471982) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID82471982
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1C1CC1N
InChIInChI=1S/C15H23N/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(12)16/h6-7,12-13H,8,16H2,1-5H3
InChIKeyFDBAOPLMTULWJO-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5530
(1R,2S)-Tranylcypromine
CID 19493
(+)-Tranylcypromine
CID 26070
1-(4-Methylphenyl)propane-2-amine
CID 199116
Tranylcypromine hydrochloride
CID 2723716
2,5-Dimethylbenzeneethanamine
CID 211415
5-Adpi
CID 192600
(1S,2S)-2-phenylcyclopropan-1-amine
CID 6604304
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
CID 6419961
(1R)-2-phenylcyclopropan-1-amine
CID 441233
Ortetamine
CID 115808
Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride
CID 3045699

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine (CID 82471982) is 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine is Cc1cc(C(C)(C)C)cc(C)c1C1CC1N.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is FDBAOPLMTULWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(12)16/h6-7,12-13H,8,16H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine?
2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 82471982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).