[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride

C18H22BrClN2O — CID 120844448

IUPAC[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1
InChIInChI=1S/C18H21BrN2O.ClH/c19-18-4-2-1-3-17(18)15-7-5-14(6-8-15)12-21-9-10-22-16(11-20)13-21;/h1-8,16H,9-13,20H2;1H
InChIKeyUAJLJRSDINJVEZ-UHFFFAOYSA-N
MW397.74 g/mol
LogP3.70
Rot. Bonds4

About [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844448) has the molecular formula C18H22BrClN2O and a molecular weight of 397.74 g/mol. Its IUPAC name is [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844448
Molecular FormulaC18H22BrClN2O
Molecular Weight397.74 g/mol
Exact Mass396.06
IUPAC Name[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1
InChIInChI=1S/C18H21BrN2O.ClH/c19-18-4-2-1-3-17(18)15-7-5-14(6-8-15)12-21-9-10-22-16(11-20)13-21;/h1-8,16H,9-13,20H2;1H
InChIKeyUAJLJRSDINJVEZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
CID 18933330
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940
[4-(thiophen-2-ylmethyl)morpholin-2-yl]methanamine;dihydrochloride
CID 71432312

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844448) is [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1.
What is the InChIKey of [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is UAJLJRSDINJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O.ClH/c19-18-4-2-1-3-17(18)15-7-5-14(6-8-15)12-21-9-10-22-16(11-20)13-21;/h1-8,16H,9-13,20H2;1H.
What are the key properties of [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 397.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).