N,1,1,1-tetrachloro-N-methylmethanamine

C2H3Cl4N — CID 174863987

IUPACN,1,1,1-tetrachloro-N-methylmethanamine
SMILESCN(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl4N/c1-7(6)2(3,4)5/h1H3
InChIKeyUGDCCJAYAQQIHL-UHFFFAOYSA-N
MW182.87 g/mol
LogP2.40
Rot. Bonds

About N,1,1,1-tetrachloro-N-methylmethanamine

N,1,1,1-tetrachloro-N-methylmethanamine (PubChem CID 174863987) has the molecular formula C2H3Cl4N and a molecular weight of 182.87 g/mol. Its IUPAC name is N,1,1,1-tetrachloro-N-methylmethanamine.

Molecular Properties

Compound NameN,1,1,1-tetrachloro-N-methylmethanamine
PubChem CID174863987
Molecular FormulaC2H3Cl4N
Molecular Weight182.87 g/mol
Exact Mass180.90
IUPAC NameN,1,1,1-tetrachloro-N-methylmethanamine
SMILESCN(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl4N/c1-7(6)2(3,4)5/h1H3
InChIKeyUGDCCJAYAQQIHL-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.87
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(trichloromethyl)thiohydroxylamine
CID 88816877
N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
CID 174821411
N-chloro-N-fluoromethanamine
CID 57464082
CID 139162556
CID 139162556
N-[chloro(trichloromethyl)phosphanyl]-N-methylmethanamine
CID 2785258
trichloro(chloro)methane
CID 102463068
N,N-dimethylformamide;molecular chlorine
CID 86751989
N-chloro-N-trimethylsilylmethanamine
CID 174831948
1-chloro-1-N,1-N,1-N',1-N',2-pentamethyl-2-silylpropane-1,1-diamine
CID 173059343
1-chloro-N,N,2,2-tetramethyl-1-silylpropan-1-amine
CID 173064764
2,2,2-trichloro-N-(dimethylaminomethylidene)acetamide
CID 13186864
CID 6397294
CID 6397294

Frequently Asked Questions

What is the IUPAC name of N,1,1,1-tetrachloro-N-methylmethanamine?
The IUPAC name of N,1,1,1-tetrachloro-N-methylmethanamine (CID 174863987) is N,1,1,1-tetrachloro-N-methylmethanamine.
What is the SMILES notation for N,1,1,1-tetrachloro-N-methylmethanamine?
The canonical SMILES for N,1,1,1-tetrachloro-N-methylmethanamine is CN(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N,1,1,1-tetrachloro-N-methylmethanamine?
The InChIKey is UGDCCJAYAQQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl4N/c1-7(6)2(3,4)5/h1H3.
What are the key properties of N,1,1,1-tetrachloro-N-methylmethanamine?
N,1,1,1-tetrachloro-N-methylmethanamine has a molecular weight of 182.87 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1-tetrachloro-N-methylmethanamine is sourced from PubChem (CID 174863987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).