(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine

C13H19N — CID 107004134

IUPAC(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC2(C)C)c1
InChIInChI=1S/C13H19N/c1-9-5-4-6-10(7-9)12(14)11-8-13(11,2)3/h4-7,11-12H,8,14H2,1-3H3
InChIKeyDYXJCCKDFITUEX-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.04
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine

(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine (PubChem CID 107004134) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
PubChem CID107004134
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC2(C)C)c1
InChIInChI=1S/C13H19N/c1-9-5-4-6-10(7-9)12(14)11-8-13(11,2)3/h4-7,11-12H,8,14H2,1-3H3
InChIKeyDYXJCCKDFITUEX-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
CID 107001422
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
[(2,2-dimethylcyclopentyl)-(3-methylphenyl)methyl]hydrazine
CID 107193327
[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol
CID 118564167
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
[1-(2,2-dimethylcyclopropyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107005554
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
CID 156724864
CID 156724864

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine (CID 107004134) is (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine is Cc1cccc(C(N)C2CC2(C)C)c1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine?
The InChIKey is DYXJCCKDFITUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-4-6-10(7-9)12(14)11-8-13(11,2)3/h4-7,11-12H,8,14H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine?
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 107004134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).