1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine

C14H21NO — CID 118252120

IUPAC1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(C2CC2)c(OC)c1
InChIInChI=1S/C14H21NO/c1-3-12(15)8-10-4-7-13(11-5-6-11)14(9-10)16-2/h4,7,9,11-12H,3,5-6,8,15H2,1-2H3
InChIKeyKCKPODQMKRDSLA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine

1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine (PubChem CID 118252120) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
PubChem CID118252120
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(C2CC2)c(OC)c1
InChIInChI=1S/C14H21NO/c1-3-12(15)8-10-4-7-13(11-5-6-11)14(9-10)16-2/h4,7,9,11-12H,3,5-6,8,15H2,1-2H3
InChIKeyKCKPODQMKRDSLA-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine (CID 118252120) is 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine is CCC(N)Cc1ccc(C2CC2)c(OC)c1.
What is the InChIKey of 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine?
The InChIKey is KCKPODQMKRDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12(15)8-10-4-7-13(11-5-6-11)14(9-10)16-2/h4,7,9,11-12H,3,5-6,8,15H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine?
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 118252120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).