6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine

C14H18ClN5O — CID 114780826

IUPAC6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
SMILESCC1(C)CN(c2nnnn2-c2ccccc2)CC(CCl)O1
InChIInChI=1S/C14H18ClN5O/c1-14(2)10-19(9-12(8-15)21-14)13-16-17-18-20(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyMGLINHVLUZUHIA-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.88
Rot. Bonds3

About 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine

6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine (PubChem CID 114780826) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
PubChem CID114780826
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
SMILESCC1(C)CN(c2nnnn2-c2ccccc2)CC(CCl)O1
InChIInChI=1S/C14H18ClN5O/c1-14(2)10-19(9-12(8-15)21-14)13-16-17-18-20(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyMGLINHVLUZUHIA-UHFFFAOYSA-N
XLogP1.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841
5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63389979
(3R,4R)-3-cyclobutyl-4-methyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-ol
CID 70738692
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
6-(chloromethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780846
4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107875644
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
(3S,4R)-N,N-dimethyl-4-methylsulfanyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-amine
CID 125136385

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine (CID 114780826) is 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine is CC1(C)CN(c2nnnn2-c2ccccc2)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The InChIKey is MGLINHVLUZUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-14(2)10-19(9-12(8-15)21-14)13-16-17-18-20(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine has a molecular weight of 307.78 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine is sourced from PubChem (CID 114780826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).