1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine

C17H20BrN3O — CID 55684100

IUPAC1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
SMILESBrc1cccc(CNCc2cccnc2N2CCOCC2)c1
InChIInChI=1S/C17H20BrN3O/c18-16-5-1-3-14(11-16)12-19-13-15-4-2-6-20-17(15)21-7-9-22-10-8-21/h1-6,11,19H,7-10,12-13H2
InChIKeyCPCZXCOYRSXNEX-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine

1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine (PubChem CID 55684100) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
PubChem CID55684100
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
SMILESBrc1cccc(CNCc2cccnc2N2CCOCC2)c1
InChIInChI=1S/C17H20BrN3O/c18-16-5-1-3-14(11-16)12-19-13-15-4-2-6-20-17(15)21-7-9-22-10-8-21/h1-6,11,19H,7-10,12-13H2
InChIKeyCPCZXCOYRSXNEX-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 47030672
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine (CID 55684100) is 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine is Brc1cccc(CNCc2cccnc2N2CCOCC2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine?
The InChIKey is CPCZXCOYRSXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c18-16-5-1-3-14(11-16)12-19-13-15-4-2-6-20-17(15)21-7-9-22-10-8-21/h1-6,11,19H,7-10,12-13H2.
What are the key properties of 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine has a molecular weight of 362.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 55684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).