N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C17H26ClFN2OS — CID 120915014

IUPACN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCSc1ccc(F)cc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H25FN2OS.ClH/c1-22-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-21-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H
InChIKeyBTAMKQOMLSECJI-UHFFFAOYSA-N
MW360.93 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915014) has the molecular formula C17H26ClFN2OS and a molecular weight of 360.93 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915014
Molecular FormulaC17H26ClFN2OS
Molecular Weight360.93 g/mol
Exact Mass360.14
IUPAC NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCSc1ccc(F)cc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H25FN2OS.ClH/c1-22-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-21-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H
InChIKeyBTAMKQOMLSECJI-UHFFFAOYSA-N
XLogP3.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543838
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915682
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914474
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(3-fluorophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914853
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
CID 120915133
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915043

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915014) is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CSc1ccc(F)cc1CNC1CCCC1C1COCCN1.Cl.
What is the InChIKey of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is BTAMKQOMLSECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS.ClH/c1-22-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-21-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H.
What are the key properties of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).