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

C14H23Cl3N2O — CID 6457087

IUPACN-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21ClN2O.2ClH/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17;;/h2-5,16H,1,6-12H2;2*1H
InChIKeyGQSVBNHHGQUMMY-UHFFFAOYSA-N
MW341.71 g/mol
LogP3.00
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 6457087) has the molecular formula C14H23Cl3N2O and a molecular weight of 341.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID6457087
Molecular FormulaC14H23Cl3N2O
Molecular Weight341.71 g/mol
Exact Mass340.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21ClN2O.2ClH/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17;;/h2-5,16H,1,6-12H2;2*1H
InChIKeyGQSVBNHHGQUMMY-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
CID 123206996
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methylphenoxy]ethylamino]methyl]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 10482177

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 6457087) is N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is Cl.Cl.Clc1ccc(CNCCCN2CCOCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is GQSVBNHHGQUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.2ClH/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17;;/h2-5,16H,1,6-12H2;2*1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 341.71 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 6457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).