2-(chloromethyl)-4-pentylmorpholine

C10H20ClNO — CID 81213679

IUPAC2-(chloromethyl)-4-pentylmorpholine
SMILESCCCCCN1CCOC(CCl)C1
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-12-6-7-13-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyBGGFRZDHQXVMLT-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds5

About 2-(chloromethyl)-4-pentylmorpholine

2-(chloromethyl)-4-pentylmorpholine (PubChem CID 81213679) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-pentylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-pentylmorpholine
PubChem CID81213679
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-(chloromethyl)-4-pentylmorpholine
SMILESCCCCCN1CCOC(CCl)C1
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-12-6-7-13-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyBGGFRZDHQXVMLT-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-pentylmorpholine 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

2-(chloromethyl)-4-heptylmorpholine
CID 81213546
4-dodecyl-2-ethylmorpholine
CID 4616518
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
2-benzyl-4-dodecylmorpholine
CID 70634633
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-pentylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-pentylmorpholine (CID 81213679) is 2-(chloromethyl)-4-pentylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-pentylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-pentylmorpholine is CCCCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-pentylmorpholine?
The InChIKey is BGGFRZDHQXVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-3-4-5-12-6-7-13-10(8-11)9-12/h10H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-4-pentylmorpholine?
2-(chloromethyl)-4-pentylmorpholine has a molecular weight of 205.73 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-pentylmorpholine is sourced from PubChem (CID 81213679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).