1-(3-chlorophenoxy)propan-2-amine;hydrochloride

C9H13Cl2NO — CID 86262438

IUPAC1-(3-chlorophenoxy)propan-2-amine;hydrochloride
SMILESCC(N)COc1cccc(Cl)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(11)6-12-9-4-2-3-8(10)5-9;/h2-5,7H,6,11H2,1H3;1H
InChIKeyNLUKUJPFZOLCSY-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-chlorophenoxy)propan-2-amine;hydrochloride

1-(3-chlorophenoxy)propan-2-amine;hydrochloride (PubChem CID 86262438) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenoxy)propan-2-amine;hydrochloride
PubChem CID86262438
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name1-(3-chlorophenoxy)propan-2-amine;hydrochloride
SMILESCC(N)COc1cccc(Cl)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(11)6-12-9-4-2-3-8(10)5-9;/h2-5,7H,6,11H2,1H3;1H
InChIKeyNLUKUJPFZOLCSY-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-chlorophenoxy)propan-2-amine;hydrochloride (CID 86262438) is 1-(3-chlorophenoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenoxy)propan-2-amine;hydrochloride is CC(N)COc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenoxy)propan-2-amine;hydrochloride?
The InChIKey is NLUKUJPFZOLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-7(11)6-12-9-4-2-3-8(10)5-9;/h2-5,7H,6,11H2,1H3;1H.
What are the key properties of 1-(3-chlorophenoxy)propan-2-amine;hydrochloride?
1-(3-chlorophenoxy)propan-2-amine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 86262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).