(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine

C18H29FN2O — CID 97321962

IUPAC(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine
SMILESCC[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C
InChIInChI=1S/C18H29FN2O/c1-4-17(14(2)3)20-13-18(21-8-10-22-11-9-21)15-6-5-7-16(19)12-15/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3/t17-,18-/m1/s1
InChIKeyVMYOBNBJFDWTMW-QZTJIDSGSA-N
MW308.44 g/mol
LogP3.22
Rot. Bonds7

About (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine

(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine (PubChem CID 97321962) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine
PubChem CID97321962
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine
SMILESCC[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C
InChIInChI=1S/C18H29FN2O/c1-4-17(14(2)3)20-13-18(21-8-10-22-11-9-21)15-6-5-7-16(19)12-15/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3/t17-,18-/m1/s1
InChIKeyVMYOBNBJFDWTMW-QZTJIDSGSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine with MolForge

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Related Compounds

1-butan-2-yl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 110943878
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111876724
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-pentylguanidine
CID 111129059
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 60592573

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine?
The IUPAC name of (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine (CID 97321962) is (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine.
What is the SMILES notation for (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine?
The canonical SMILES for (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine is CC[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C.
What is the InChIKey of (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine?
The InChIKey is VMYOBNBJFDWTMW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-4-17(14(2)3)20-13-18(21-8-10-22-11-9-21)15-6-5-7-16(19)12-15/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine?
(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine has a molecular weight of 308.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 97321962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).