3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine

C13H19N — CID 130488486

IUPAC3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCc1ccc(C2C(N)C2(C)C)cc1C
InChIInChI=1S/C13H19N/c1-8-5-6-10(7-9(8)2)11-12(14)13(11,3)4/h5-7,11-12H,14H2,1-4H3
InChIKeyGSVIVDDTPXLZDY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine

3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 130488486) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID130488486
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCc1ccc(C2C(N)C2(C)C)cc1C
InChIInChI=1S/C13H19N/c1-8-5-6-10(7-9(8)2)11-12(14)13(11,3)4/h5-7,11-12H,14H2,1-4H3
InChIKeyGSVIVDDTPXLZDY-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tranylcypromine
CID 5530
Dehydroabietylamine
CID 62034
(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
2,5-Dimethylbenzylamine
CID 66735
(1R)-2-phenylcyclopropan-1-amine
CID 441233

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine (CID 130488486) is 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine is Cc1ccc(C2C(N)C2(C)C)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is GSVIVDDTPXLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-8-5-6-10(7-9(8)2)11-12(14)13(11,3)4/h5-7,11-12H,14H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine?
3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 130488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).