(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine

C13H19NO — CID 95252700

IUPAC(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OC[C@H](N)C2CC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-13(10(2)7-9)15-8-12(14)11-4-5-11/h3,6-7,11-12H,4-5,8,14H2,1-2H3/t12-/m0/s1
InChIKeyAWRPLDAFUKDNPJ-LBPRGKRZSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds4

About (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine

(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine (PubChem CID 95252700) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
PubChem CID95252700
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OC[C@H](N)C2CC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-13(10(2)7-9)15-8-12(14)11-4-5-11/h3,6-7,11-12H,4-5,8,14H2,1-2H3/t12-/m0/s1
InChIKeyAWRPLDAFUKDNPJ-LBPRGKRZSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336333

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine?
The IUPAC name of (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine (CID 95252700) is (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine.
What is the SMILES notation for (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine?
The canonical SMILES for (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine is Cc1ccc(OC[C@H](N)C2CC2)c(C)c1.
What is the InChIKey of (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine?
The InChIKey is AWRPLDAFUKDNPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-3-6-13(10(2)7-9)15-8-12(14)11-4-5-11/h3,6-7,11-12H,4-5,8,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine?
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine is sourced from PubChem (CID 95252700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).