3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine

C13H21NO — CID 141378858

IUPAC3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
SMILESCC[C@@H](C)Oc1cccc(CCCN)c1
InChIInChI=1S/C13H21NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,5,7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyDNUQHWVRXIQGFT-LLVKDONJSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine

3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine (PubChem CID 141378858) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
PubChem CID141378858
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
SMILESCC[C@@H](C)Oc1cccc(CCCN)c1
InChIInChI=1S/C13H21NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,5,7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyDNUQHWVRXIQGFT-LLVKDONJSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
3-butan-2-yloxybenzenediazonium
CID 82972983
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine?
The IUPAC name of 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine (CID 141378858) is 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine is CC[C@@H](C)Oc1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine?
The InChIKey is DNUQHWVRXIQGFT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,5,7,9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine?
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine is sourced from PubChem (CID 141378858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).