[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride

C19H21Cl2FN2O2 — CID 154904026

IUPAC[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
SMILESCl.NCCC1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCO1
InChIInChI=1S/C19H20ClFN2O2.ClH/c20-17-11-14(4-5-18(17)21)13-2-1-3-15(10-13)19(24)23-8-9-25-16(12-23)6-7-22;/h1-5,10-11,16H,6-9,12,22H2;1H
InChIKeyMJYGJWHUBDKMJQ-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.76
Rot. Bonds4

About [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride

[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride (PubChem CID 154904026) has the molecular formula C19H21Cl2FN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
PubChem CID154904026
Molecular FormulaC19H21Cl2FN2O2
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC Name[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
SMILESCl.NCCC1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCO1
InChIInChI=1S/C19H20ClFN2O2.ClH/c20-17-11-14(4-5-18(17)21)13-2-1-3-15(10-13)19(24)23-8-9-25-16(12-23)6-7-22;/h1-5,10-11,16H,6-9,12,22H2;1H
InChIKeyMJYGJWHUBDKMJQ-UHFFFAOYSA-N
XLogP3.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride with MolForge

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Related Compounds

[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
CID 126426185
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
CID 126434480
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
CID 154899649
4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
CID 126432915
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 122565784
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride (CID 154904026) is [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride is Cl.NCCC1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCO1.
What is the InChIKey of [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride?
The InChIKey is MJYGJWHUBDKMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2.ClH/c20-17-11-14(4-5-18(17)21)13-2-1-3-15(10-13)19(24)23-8-9-25-16(12-23)6-7-22;/h1-5,10-11,16H,6-9,12,22H2;1H.
What are the key properties of [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride?
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride has a molecular weight of 399.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 154904026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).