N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride

C23H26ClN3O2 — CID 47030657

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.c1ccc(Oc2cccc(CNCc3cccnc3N3CCOCC3)c2)cc1
InChIInChI=1S/C23H25N3O2.ClH/c1-2-8-21(9-3-1)28-22-10-4-6-19(16-22)17-24-18-20-7-5-11-25-23(20)26-12-14-27-15-13-26;/h1-11,16,24H,12-15,17-18H2;1H
InChIKeyWQWIFCKGUZPBFI-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.42
Rot. Bonds7

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

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride (PubChem CID 47030657) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
PubChem CID47030657
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.c1ccc(Oc2cccc(CNCc3cccnc3N3CCOCC3)c2)cc1
InChIInChI=1S/C23H25N3O2.ClH/c1-2-8-21(9-3-1)28-22-10-4-6-19(16-22)17-24-18-20-7-5-11-25-23(20)26-12-14-27-15-13-26;/h1-11,16,24H,12-15,17-18H2;1H
InChIKeyWQWIFCKGUZPBFI-UHFFFAOYSA-N
XLogP4.42
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 167956831
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
1-(2-morpholin-4-yl-3-pyridinyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]methanamine
CID 26393168
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride (CID 47030657) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride is Cl.c1ccc(Oc2cccc(CNCc3cccnc3N3CCOCC3)c2)cc1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride?
The InChIKey is WQWIFCKGUZPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.ClH/c1-2-8-21(9-3-1)28-22-10-4-6-19(16-22)17-24-18-20-7-5-11-25-23(20)26-12-14-27-15-13-26;/h1-11,16,24H,12-15,17-18H2;1H.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 47030657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).