4-(3-cyclopropyloxyphenyl)butan-2-amine

C13H19NO — CID 114522923

IUPAC4-(3-cyclopropyloxyphenyl)butan-2-amine
SMILESCC(N)CCc1cccc(OC2CC2)c1
InChIInChI=1S/C13H19NO/c1-10(14)5-6-11-3-2-4-13(9-11)15-12-7-8-12/h2-4,9-10,12H,5-8,14H2,1H3
InChIKeyZMXGYZRZKXEQRA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.51
Rot. Bonds5

About 4-(3-cyclopropyloxyphenyl)butan-2-amine

4-(3-cyclopropyloxyphenyl)butan-2-amine (PubChem CID 114522923) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)butan-2-amine
PubChem CID114522923
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-cyclopropyloxyphenyl)butan-2-amine
SMILESCC(N)CCc1cccc(OC2CC2)c1
InChIInChI=1S/C13H19NO/c1-10(14)5-6-11-3-2-4-13(9-11)15-12-7-8-12/h2-4,9-10,12H,5-8,14H2,1H3
InChIKeyZMXGYZRZKXEQRA-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
CID 114523075
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-(3-bromo-4,4-dimethylpentyl)-3-cyclopropyloxybenzene
CID 114523093
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
(3-cyclopropyloxyphenyl)methanol
CID 57336629
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)butan-2-amine?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)butan-2-amine (CID 114522923) is 4-(3-cyclopropyloxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)butan-2-amine?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)butan-2-amine is CC(N)CCc1cccc(OC2CC2)c1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)butan-2-amine?
The InChIKey is ZMXGYZRZKXEQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14)5-6-11-3-2-4-13(9-11)15-12-7-8-12/h2-4,9-10,12H,5-8,14H2,1H3.
What are the key properties of 4-(3-cyclopropyloxyphenyl)butan-2-amine?
4-(3-cyclopropyloxyphenyl)butan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)butan-2-amine is sourced from PubChem (CID 114522923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).