N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C15H26Cl2N2O — CID 6456981

IUPACN-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCc1ccccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-14-5-2-3-6-15(14)13-16-7-4-8-17-9-11-18-12-10-17;;/h2-3,5-6,16H,4,7-13H2,1H3;2*1H
InChIKeyMZADPBLEHXAVEB-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 6456981) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID6456981
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC NameN-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCc1ccccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-14-5-2-3-6-15(14)13-16-7-4-8-17-9-11-18-12-10-17;;/h2-3,5-6,16H,4,7-13H2,1H3;2*1H
InChIKeyMZADPBLEHXAVEB-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 6456981) is N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is Cc1ccccc1CNCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is MZADPBLEHXAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-14-5-2-3-6-15(14)13-16-7-4-8-17-9-11-18-12-10-17;;/h2-3,5-6,16H,4,7-13H2,1H3;2*1H.
What are the key properties of N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 6456981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).