2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride

C12H18ClNO — CID 71756717

IUPAC2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
SMILESCOc1ccc(CC2(C)CC2N)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-12(8-11(12)13)7-9-3-5-10(14-2)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H
InChIKeyKPRNGUDUZZYYAL-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride

2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride (PubChem CID 71756717) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
PubChem CID71756717
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
SMILESCOc1ccc(CC2(C)CC2N)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-12(8-11(12)13)7-9-3-5-10(14-2)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H
InChIKeyKPRNGUDUZZYYAL-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
CID 175415747
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 154598891
(1S,6R)-1-[(4-methoxyphenyl)methyl]-3-methylbicyclo[4.1.0]heptane
CID 177443332
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride (CID 71756717) is 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride is COc1ccc(CC2(C)CC2N)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is KPRNGUDUZZYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-12(8-11(12)13)7-9-3-5-10(14-2)6-4-9;/h3-6,11H,7-8,13H2,1-2H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride?
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 71756717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).