1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine

C13H19N — CID 82239846

IUPAC1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)(N)C2CC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(3,14)11-4-5-11/h6-8,11H,4-5,14H2,1-3H3
InChIKeyWDQLEBJXEYMTEU-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.89
Rot. Bonds2

About 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine

1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 82239846) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine
PubChem CID82239846
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)(N)C2CC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(3,14)11-4-5-11/h6-8,11H,4-5,14H2,1-3H3
InChIKeyWDQLEBJXEYMTEU-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 82235880
1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 64748374
4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol
CID 83830379
1-cyclopropyl-1-pyridin-4-ylethanamine
CID 83826672
(3,5-dimethylphenyl)methanetriamine
CID 143122462
1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 83827657
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 82235884
1-(3,4-dimethylphenyl)-1-(oxan-4-yl)ethanamine
CID 63937080
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080
1-cyclopentyl-1-thiophen-3-ylethanamine
CID 171097776
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine (CID 82239846) is 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(C)(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is WDQLEBJXEYMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(3,14)11-4-5-11/h6-8,11H,4-5,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine?
1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 82239846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).