(2S)-1-(2-chlorophenoxy)propan-2-amine

C9H12ClNO — CID 42221597

IUPAC(2S)-1-(2-chlorophenoxy)propan-2-amine
SMILESC[C@H](N)COc1ccccc1Cl
InChIInChI=1S/C9H12ClNO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyHWFUWQBNSLHMRS-ZETCQYMHSA-N
MW185.65 g/mol
LogP2.07
Rot. Bonds3

About (2S)-1-(2-chlorophenoxy)propan-2-amine

(2S)-1-(2-chlorophenoxy)propan-2-amine (PubChem CID 42221597) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenoxy)propan-2-amine
PubChem CID42221597
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2S)-1-(2-chlorophenoxy)propan-2-amine
SMILESC[C@H](N)COc1ccccc1Cl
InChIInChI=1S/C9H12ClNO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyHWFUWQBNSLHMRS-ZETCQYMHSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
[(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-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66218937
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
2-[(2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012785
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenoxy)propan-2-amine?
The IUPAC name of (2S)-1-(2-chlorophenoxy)propan-2-amine (CID 42221597) is (2S)-1-(2-chlorophenoxy)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-chlorophenoxy)propan-2-amine?
The canonical SMILES for (2S)-1-(2-chlorophenoxy)propan-2-amine is C[C@H](N)COc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenoxy)propan-2-amine?
The InChIKey is HWFUWQBNSLHMRS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenoxy)propan-2-amine?
(2S)-1-(2-chlorophenoxy)propan-2-amine has a molecular weight of 185.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenoxy)propan-2-amine is sourced from PubChem (CID 42221597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).