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

C14H21ClN2O — CID 2991571

IUPACN-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H21ClN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
InChIKeyMERFUFHSNCLISH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.15
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 2991571) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID2991571
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H21ClN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
InChIKeyMERFUFHSNCLISH-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.15
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-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 134108440
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 2991571) is N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is Clc1cccc(CNCCCN2CCOCC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is MERFUFHSNCLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 2991571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).