(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine

C13H21NO — CID 78937309

IUPAC(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
SMILESCCC(C)Oc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h6-10,13H,4-5,14H2,1-3H3/t10?,13-/m1/s1
InChIKeyXHTHHWWMBRZJHC-JLOHTSLTSA-N
MW207.32 g/mol
LogP3.27
Rot. Bonds5

About (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine

(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine (PubChem CID 78937309) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
PubChem CID78937309
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
SMILESCCC(C)Oc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h6-10,13H,4-5,14H2,1-3H3/t10?,13-/m1/s1
InChIKeyXHTHHWWMBRZJHC-JLOHTSLTSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yloxyaniline
CID 13097722
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
CID 100558254
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol
CID 139885484

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine (CID 78937309) is (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine is CCC(C)Oc1ccc([C@H](N)CC)cc1.
What is the InChIKey of (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine?
The InChIKey is XHTHHWWMBRZJHC-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h6-10,13H,4-5,14H2,1-3H3/t10?,13-/m1/s1.
What are the key properties of (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine?
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 78937309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).