N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride

C19H26ClN3O3 — CID 47030468

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccc(N3CCOCC3)nc2)c(OC)c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-23-17-5-4-16(18(11-17)24-2)14-20-12-15-3-6-19(21-13-15)22-7-9-25-10-8-22;/h3-6,11,13,20H,7-10,12,14H2,1-2H3;1H
InChIKeyMIFSJVDHZWASSF-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.65
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride (PubChem CID 47030468) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
PubChem CID47030468
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccc(N3CCOCC3)nc2)c(OC)c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-23-17-5-4-16(18(11-17)24-2)14-20-12-15-3-6-19(21-13-15)22-7-9-25-10-8-22;/h3-6,11,13,20H,7-10,12,14H2,1-2H3;1H
InChIKeyMIFSJVDHZWASSF-UHFFFAOYSA-N
XLogP2.65
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42473597
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 51114916
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride (CID 47030468) is N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride is COc1ccc(CNCc2ccc(N3CCOCC3)nc2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The InChIKey is MIFSJVDHZWASSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-23-17-5-4-16(18(11-17)24-2)14-20-12-15-3-6-19(21-13-15)22-7-9-25-10-8-22;/h3-6,11,13,20H,7-10,12,14H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 47030468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).