(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride

C14H18ClFN2O2 — CID 119770397

IUPAC(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCOC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C14H17FN2O2.ClH/c15-11-3-1-2-10(8-11)12-9-17(6-7-19-12)13(18)14(16)4-5-14;/h1-3,8,12H,4-7,9,16H2;1H
InChIKeyUOIHTAOGKXCGDU-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.64
Rot. Bonds2

About (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride

(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride (PubChem CID 119770397) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
PubChem CID119770397
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCOC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C14H17FN2O2.ClH/c15-11-3-1-2-10(8-11)12-9-17(6-7-19-12)13(18)14(16)4-5-14;/h1-3,8,12H,4-7,9,16H2;1H
InChIKeyUOIHTAOGKXCGDU-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119770443

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride (CID 119770397) is (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCOC(c3cccc(F)c3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride?
The InChIKey is UOIHTAOGKXCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2.ClH/c15-11-3-1-2-10(8-11)12-9-17(6-7-19-12)13(18)14(16)4-5-14;/h1-3,8,12H,4-7,9,16H2;1H.
What are the key properties of (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride?
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride has a molecular weight of 300.76 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119770397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).