[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone

C18H19BrN2O2 — CID 119308192

IUPAC[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(10-16)17-12-21(8-9-23-17)18(22)14-6-4-13(11-20)5-7-14/h1-7,10,17H,8-9,11-12,20H2
InChIKeyHFQVHCQYEXMRSO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.12
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone

[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone (PubChem CID 119308192) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
PubChem CID119308192
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(10-16)17-12-21(8-9-23-17)18(22)14-6-4-13(11-20)5-7-14/h1-7,10,17H,8-9,11-12,20H2
InChIKeyHFQVHCQYEXMRSO-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119757090
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone (CID 119308192) is [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone is NCc1ccc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone?
The InChIKey is HFQVHCQYEXMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(10-16)17-12-21(8-9-23-17)18(22)14-6-4-13(11-20)5-7-14/h1-7,10,17H,8-9,11-12,20H2.
What are the key properties of [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone?
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone has a molecular weight of 375.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 119308192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).