N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine

C11H13F2NO — CID 79891880

IUPACN-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C11H13F2NO/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
InChIKeyRTMZGILYDXKCNH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.23
Rot. Bonds4

About N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine

N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 79891880) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
PubChem CID79891880
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C11H13F2NO/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
InChIKeyRTMZGILYDXKCNH-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 107134472
N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076138
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine (CID 79891880) is N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine is COc1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is RTMZGILYDXKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/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.
What are the key properties of N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine?
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 213.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 79891880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).