N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride

C11H14Cl3NO — CID 51138205

IUPACN-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1c(Cl)cc(CNC2CC2)cc1Cl.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-15-11-9(12)4-7(5-10(11)13)6-14-8-2-3-8;/h4-5,8,14H,2-3,6H2,1H3;1H
InChIKeyUAEOGIQQFZZPGO-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.68
Rot. Bonds4

About N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride

N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride (PubChem CID 51138205) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
PubChem CID51138205
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1c(Cl)cc(CNC2CC2)cc1Cl.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-15-11-9(12)4-7(5-10(11)13)6-14-8-2-3-8;/h4-5,8,14H,2-3,6H2,1H3;1H
InChIKeyUAEOGIQQFZZPGO-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[[4-[(E)-but-2-enoxy]-3-chloro-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878931
N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878743
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride (CID 51138205) is N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride is COc1c(Cl)cc(CNC2CC2)cc1Cl.Cl.
What is the InChIKey of N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is UAEOGIQQFZZPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-15-11-9(12)4-7(5-10(11)13)6-14-8-2-3-8;/h4-5,8,14H,2-3,6H2,1H3;1H.
What are the key properties of N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride?
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 51138205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).