N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

C18H27FN2O — CID 120915385

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCc1cc(F)ccc1CCNC1CCCC1C1COCCN1
InChIInChI=1S/C18H27FN2O/c1-13-11-15(19)6-5-14(13)7-8-20-17-4-2-3-16(17)18-12-22-10-9-21-18/h5-6,11,16-18,20-21H,2-4,7-10,12H2,1H3
InChIKeyPYEPHYSXRXCDEE-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915385) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915385
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCc1cc(F)ccc1CCNC1CCCC1C1COCCN1
InChIInChI=1S/C18H27FN2O/c1-13-11-15(19)6-5-14(13)7-8-20-17-4-2-3-16(17)18-12-22-10-9-21-18/h5-6,11,16-18,20-21H,2-4,7-10,12H2,1H3
InChIKeyPYEPHYSXRXCDEE-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 2-(alpha-cyclopentylbenzyl)-3-methoxy-, hydrochloride
CID 209511
3-[(4-Fluorophenyl)methyl]morpholine
CID 82281886
(R)-3-(4-fluorobenzyl)morpholine
CID 95437547
(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 22689144
1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine
CID 18511650
(2S,3R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
CID 21362441
(3S,4S)-4-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-tetrahydro-pyran-3-ylamine
CID 21362442
2-[2-(trifluoromethyl)phenyl]-N-(2-undecoxyethyl)ethanamine
CID 22091479
3-[2-(2-Fluorophenyl)ethyl]morpholine
CID 22248259
2-[[3-[(4-Fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
CID 22318374
3-(4-Fluoro-2-methylphenyl)morpholine
CID 55268719
3-(Diphenylmethyl)morpholine
CID 57466051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915385) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is Cc1cc(F)ccc1CCNC1CCCC1C1COCCN1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is PYEPHYSXRXCDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-13-11-15(19)6-5-14(13)7-8-20-17-4-2-3-16(17)18-12-22-10-9-21-18/h5-6,11,16-18,20-21H,2-4,7-10,12H2,1H3.
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).