1-(3-chloro-5-methoxyphenoxy)propan-2-amine

C10H14ClNO2 — CID 141019725

IUPAC1-(3-chloro-5-methoxyphenoxy)propan-2-amine
SMILESCOc1cc(Cl)cc(OCC(C)N)c1
InChIInChI=1S/C10H14ClNO2/c1-7(12)6-14-10-4-8(11)3-9(5-10)13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyIIVJUMRGZMHFTP-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-chloro-5-methoxyphenoxy)propan-2-amine

1-(3-chloro-5-methoxyphenoxy)propan-2-amine (PubChem CID 141019725) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxyphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methoxyphenoxy)propan-2-amine
PubChem CID141019725
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(3-chloro-5-methoxyphenoxy)propan-2-amine
SMILESCOc1cc(Cl)cc(OCC(C)N)c1
InChIInChI=1S/C10H14ClNO2/c1-7(12)6-14-10-4-8(11)3-9(5-10)13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyIIVJUMRGZMHFTP-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
1-(3,5-dimethoxyphenoxy)propan-2-ylhydrazine
CID 112512172
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
4-(2-aminopropoxy)-6-methylpyran-2-one
CID 86262436
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
CID 122714136
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxyphenoxy)propan-2-amine?
The IUPAC name of 1-(3-chloro-5-methoxyphenoxy)propan-2-amine (CID 141019725) is 1-(3-chloro-5-methoxyphenoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-methoxyphenoxy)propan-2-amine?
The canonical SMILES for 1-(3-chloro-5-methoxyphenoxy)propan-2-amine is COc1cc(Cl)cc(OCC(C)N)c1.
What is the InChIKey of 1-(3-chloro-5-methoxyphenoxy)propan-2-amine?
The InChIKey is IIVJUMRGZMHFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7(12)6-14-10-4-8(11)3-9(5-10)13-2/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methoxyphenoxy)propan-2-amine?
1-(3-chloro-5-methoxyphenoxy)propan-2-amine has a molecular weight of 215.68 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxyphenoxy)propan-2-amine is sourced from PubChem (CID 141019725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).