1-(2-methoxyphenyl)propan-2-amine;hydrochloride

C10H16ClNO — CID 3029810

IUPAC1-(2-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1ccccc1CC(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11)7-9-5-3-4-6-10(9)12-2;/h3-6,8H,7,11H2,1-2H3;1H
InChIKeySXQBBTRLKWTAPV-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.01
Rot. Bonds3

About 1-(2-methoxyphenyl)propan-2-amine;hydrochloride

1-(2-methoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 3029810) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)propan-2-amine;hydrochloride
PubChem CID3029810
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(2-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1ccccc1CC(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11)7-9-5-3-4-6-10(9)12-2;/h3-6,8H,7,11H2,1-2H3;1H
InChIKeySXQBBTRLKWTAPV-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)propan-2-amine;hydrochloride (CID 3029810) is 1-(2-methoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)propan-2-amine;hydrochloride is COc1ccccc1CC(C)N.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is SXQBBTRLKWTAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8(11)7-9-5-3-4-6-10(9)12-2;/h3-6,8H,7,11H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyphenyl)propan-2-amine;hydrochloride?
1-(2-methoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 3029810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).