N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine

C15H19F2NO — CID 79891658

IUPACN-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1OC1CCCC1
InChIInChI=1S/C15H19F2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2
InChIKeyYIYXZDFRWRSNNY-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.54
Rot. Bonds5

About N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine

N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine (PubChem CID 79891658) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
PubChem CID79891658
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1OC1CCCC1
InChIInChI=1S/C15H19F2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2
InChIKeyYIYXZDFRWRSNNY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 107134472
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
CID 82930013
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
CID 79882223
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine (CID 79891658) is N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(F)c1OC1CCCC1.
What is the InChIKey of N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine?
The InChIKey is YIYXZDFRWRSNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2.
What are the key properties of N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine?
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine has a molecular weight of 267.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 79891658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).