N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine

C19H30FN3O — CID 120915133

IUPACN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCC1C1COCCN1)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-23(13-15-5-7-16(20)8-6-15)11-9-21-18-4-2-3-17(18)19-14-24-12-10-22-19/h5-8,17-19,21-22H,2-4,9-14H2,1H3
InChIKeyHNPVTTBBXZUDNX-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.00
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine (PubChem CID 120915133) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
PubChem CID120915133
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCC1C1COCCN1)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-23(13-15-5-7-16(20)8-6-15)11-9-21-18-4-2-3-17(18)19-14-24-12-10-22-19/h5-8,17-19,21-22H,2-4,9-14H2,1H3
InChIKeyHNPVTTBBXZUDNX-UHFFFAOYSA-N
XLogP2.00
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
CID 120914670
2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914474
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine (CID 120915133) is N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine is CN(CCNC1CCCC1C1COCCN1)Cc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine?
The InChIKey is HNPVTTBBXZUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-23(13-15-5-7-16(20)8-6-15)11-9-21-18-4-2-3-17(18)19-14-24-12-10-22-19/h5-8,17-19,21-22H,2-4,9-14H2,1H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine has a molecular weight of 335.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 120915133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).