1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride

C11H16ClNO — CID 86277140

IUPAC1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
SMILESCOc1cccc(CC2(N)CC2)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-9(7-10)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H
InChIKeyMHCSSQQGNBBFCD-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride

1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride (PubChem CID 86277140) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
PubChem CID86277140
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
SMILESCOc1cccc(CC2(N)CC2)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-9(7-10)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H
InChIKeyMHCSSQQGNBBFCD-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride (CID 86277140) is 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride is COc1cccc(CC2(N)CC2)c1.Cl.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is MHCSSQQGNBBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-9(7-10)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H.
What are the key properties of 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride?
1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 86277140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).