(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine

C14H23NO — CID 63367049

IUPAC(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C14H23NO/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11-12H,4,7,10,15H2,1-3H3/t11?,12-/m1/s1
InChIKeyIAUMMULEKORKAN-PIJUOVFKSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds6

About (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine

(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 63367049) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
PubChem CID63367049
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C14H23NO/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11-12H,4,7,10,15H2,1-3H3/t11?,12-/m1/s1
InChIKeyIAUMMULEKORKAN-PIJUOVFKSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)aniline
CID 45075234
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
2-(2-methylpentoxy)benzonitrile
CID 62265352
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine (CID 63367049) is (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is IAUMMULEKORKAN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11-12H,4,7,10,15H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine?
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 63367049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).