N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C18H26F2N2O3 — CID 120915043

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C2COCCN2)cc1OC(F)F
InChIInChI=1S/C18H26F2N2O3/c1-23-16-6-5-12(9-17(16)25-18(19)20)10-22-14-4-2-3-13(14)15-11-24-8-7-21-15/h5-6,9,13-15,18,21-22H,2-4,7-8,10-11H2,1H3
InChIKeyGJGLMHCVEQRPGM-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds7

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915043) has the molecular formula C18H26F2N2O3 and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915043
Molecular FormulaC18H26F2N2O3
Molecular Weight356.41 g/mol
Exact Mass356.19
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C2COCCN2)cc1OC(F)F
InChIInChI=1S/C18H26F2N2O3/c1-23-16-6-5-12(9-17(16)25-18(19)20)10-22-14-4-2-3-13(14)15-11-24-8-7-21-15/h5-6,9,13-15,18,21-22H,2-4,7-8,10-11H2,1H3
InChIKeyGJGLMHCVEQRPGM-UHFFFAOYSA-N
XLogP2.54
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915889
2-[2-methoxy-4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 120914253
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[2-(2-methoxyphenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914873
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915043) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is COc1ccc(CNC2CCCC2C2COCCN2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is GJGLMHCVEQRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3/c1-23-16-6-5-12(9-17(16)25-18(19)20)10-22-14-4-2-3-13(14)15-11-24-8-7-21-15/h5-6,9,13-15,18,21-22H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 356.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).