1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine

C15H23NO — CID 106199991

IUPAC1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(OCCC2CC2)C(C)N)cc1
InChIInChI=1S/C15H23NO/c1-11-3-7-14(8-4-11)15(12(2)16)17-10-9-13-5-6-13/h3-4,7-8,12-13,15H,5-6,9-10,16H2,1-2H3
InChIKeyQGQWSTJTLGXRGX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.20
Rot. Bonds6

About 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine

1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine (PubChem CID 106199991) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
PubChem CID106199991
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(OCCC2CC2)C(C)N)cc1
InChIInChI=1S/C15H23NO/c1-11-3-7-14(8-4-11)15(12(2)16)17-10-9-13-5-6-13/h3-4,7-8,12-13,15H,5-6,9-10,16H2,1-2H3
InChIKeyQGQWSTJTLGXRGX-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-1-amine
CID 114157364
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 106199961
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
CID 106200055
1-(2-cyclobutylethoxy)-1-pyridin-2-ylpropan-2-amine
CID 106200221
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447005
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine (CID 106199991) is 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine is Cc1ccc(C(OCCC2CC2)C(C)N)cc1.
What is the InChIKey of 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is QGQWSTJTLGXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-3-7-14(8-4-11)15(12(2)16)17-10-9-13-5-6-13/h3-4,7-8,12-13,15H,5-6,9-10,16H2,1-2H3.
What are the key properties of 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine?
1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 106199991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).