N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine

C19H29FN2O — CID 95143583

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
SMILESC[C@@H](Cc1ccccc1F)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C19H29FN2O/c1-16(14-17-6-2-3-7-18(17)20)21-19(8-4-5-9-19)15-22-10-12-23-13-11-22/h2-3,6-7,16,21H,4-5,8-15H2,1H3/t16-/m0/s1
InChIKeyAFVDTAJCLKCHMP-INIZCTEOSA-N
MW320.45 g/mol
LogP2.99
Rot. Bonds6

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine (PubChem CID 95143583) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
PubChem CID95143583
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
SMILESC[C@@H](Cc1ccccc1F)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C19H29FN2O/c1-16(14-17-6-2-3-7-18(17)20)21-19(8-4-5-9-19)15-22-10-12-23-13-11-22/h2-3,6-7,16,21H,4-5,8-15H2,1H3/t16-/m0/s1
InChIKeyAFVDTAJCLKCHMP-INIZCTEOSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(morpholin-4-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 146476199
1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide
CID 99833715
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824763
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
2-(2-fluorophenyl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125021964
2-[1-(2-fluorophenyl)propan-2-ylamino]-1-piperidin-1-ylpropan-1-one
CID 114829382
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410
N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 136534481
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051761
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine (CID 95143583) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine is C[C@@H](Cc1ccccc1F)NC1(CN2CCOCC2)CCCC1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is AFVDTAJCLKCHMP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-16(14-17-6-2-3-7-18(17)20)21-19(8-4-5-9-19)15-22-10-12-23-13-11-22/h2-3,6-7,16,21H,4-5,8-15H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 320.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 95143583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).