1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane

C22H37NO — CID 143738725

IUPAC1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C)(C)C.CCc1cc(C2(N)CC2)ccc1CC(C)C
InChIInChI=1S/C15H23N.C7H14O/c1-4-12-10-14(15(16)7-8-15)6-5-13(12)9-11(2)3;1-6(2)8-7(3,4)5/h5-6,10-11H,4,7-9,16H2,1-3H3;1H2,2-5H3
InChIKeyKNLPSNMSKJROSW-UHFFFAOYSA-N
MW331.54 g/mol
LogP5.73
Rot. Bonds5

About 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane

1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane (PubChem CID 143738725) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane.

Molecular Properties

Compound Name1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane
PubChem CID143738725
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C)(C)C.CCc1cc(C2(N)CC2)ccc1CC(C)C
InChIInChI=1S/C15H23N.C7H14O/c1-4-12-10-14(15(16)7-8-15)6-5-13(12)9-11(2)3;1-6(2)8-7(3,4)5/h5-6,10-11H,4,7-9,16H2,1-3H3;1H2,2-5H3
InChIKeyKNLPSNMSKJROSW-UHFFFAOYSA-N
XLogP5.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane?
The IUPAC name of 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane (CID 143738725) is 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane.
What is the SMILES notation for 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane?
The canonical SMILES for 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane is C=C(C)OC(C)(C)C.CCc1cc(C2(N)CC2)ccc1CC(C)C.
What is the InChIKey of 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane?
The InChIKey is KNLPSNMSKJROSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C7H14O/c1-4-12-10-14(15(16)7-8-15)6-5-13(12)9-11(2)3;1-6(2)8-7(3,4)5/h5-6,10-11H,4,7-9,16H2,1-3H3;1H2,2-5H3.
What are the key properties of 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane?
1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane has a molecular weight of 331.54 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane is sourced from PubChem (CID 143738725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).