N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine

C14H21ClN2O — CID 43280316

IUPACN-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-2-6-16-11-12-13(15)4-3-5-14(12)17-7-9-18-10-8-17/h3-5,16H,2,6-11H2,1H3
InChIKeyCCNPBOBSUPKFIO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine

N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine (PubChem CID 43280316) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
PubChem CID43280316
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-2-6-16-11-12-13(15)4-3-5-14(12)17-7-9-18-10-8-17/h3-5,16H,2,6-11H2,1H3
InChIKeyCCNPBOBSUPKFIO-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.68
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-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
2-[[(2-chloro-6-morpholin-4-ylphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128310
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
4-[[(2-chloro-6-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 122036032
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine
CID 126812283
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058796

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine (CID 43280316) is N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine is CCCNCc1c(Cl)cccc1N1CCOCC1.
What is the InChIKey of N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine?
The InChIKey is CCNPBOBSUPKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-6-16-11-12-13(15)4-3-5-14(12)17-7-9-18-10-8-17/h3-5,16H,2,6-11H2,1H3.
What are the key properties of N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine?
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43280316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).