N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride

C18H22ClNO — CID 6471253

IUPACN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(COc2cccc(CNC3CC3)c2)cc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17;/h2-8,11,17,19H,9-10,12-13H2,1H3;1H
InChIKeyMDJXSNZUOVCBJJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.25
Rot. Bonds6

About N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride (PubChem CID 6471253) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
PubChem CID6471253
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(COc2cccc(CNC3CC3)c2)cc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17;/h2-8,11,17,19H,9-10,12-13H2,1H3;1H
InChIKeyMDJXSNZUOVCBJJ-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159388
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride (CID 6471253) is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride is Cc1ccc(COc2cccc(CNC3CC3)c2)cc1.Cl.
What is the InChIKey of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
The InChIKey is MDJXSNZUOVCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-14-5-7-15(8-6-14)13-20-18-4-2-3-16(11-18)12-19-17-9-10-17;/h2-8,11,17,19H,9-10,12-13H2,1H3;1H.
What are the key properties of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride?
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 6471253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).