(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine

C11H16ClNO — CID 39109828

IUPAC(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)[C@@H](N)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(2)10(13)7-14-11-6-4-3-5-9(11)12/h3-6,8,10H,7,13H2,1-2H3/t10-/m0/s1
InChIKeyNJCFESZGQOCDMR-JTQLQIEISA-N
MW213.71 g/mol
LogP2.70
Rot. Bonds4

About (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine

(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine (PubChem CID 39109828) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
PubChem CID39109828
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
SMILESCC(C)[C@@H](N)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(2)10(13)7-14-11-6-4-3-5-9(11)12/h3-6,8,10H,7,13H2,1-2H3/t10-/m0/s1
InChIKeyNJCFESZGQOCDMR-JTQLQIEISA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
2-[(2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012785
[(2S)-1-(2-chlorophenoxy)propan-2-yl]boronic acid
CID 124673132
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine (CID 39109828) is (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine is CC(C)[C@@H](N)COc1ccccc1Cl.
What is the InChIKey of (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine?
The InChIKey is NJCFESZGQOCDMR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)10(13)7-14-11-6-4-3-5-9(11)12/h3-6,8,10H,7,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine?
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 39109828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).