N-chloro-2-methoxy-N,2-dimethylpropan-1-amine

C6H14ClNO — CID 152926276

IUPACN-chloro-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CN(C)Cl
InChIInChI=1S/C6H14ClNO/c1-6(2,9-4)5-8(3)7/h5H2,1-4H3
InChIKeyUKBNEKDWDKPNJQ-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.50
Rot. Bonds3

About N-chloro-2-methoxy-N,2-dimethylpropan-1-amine

N-chloro-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 152926276) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is N-chloro-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-chloro-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID152926276
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC NameN-chloro-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CN(C)Cl
InChIInChI=1S/C6H14ClNO/c1-6(2,9-4)5-8(3)7/h5H2,1-4H3
InChIKeyUKBNEKDWDKPNJQ-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-iodo-3-methoxy-3-methylbutane
CID 22236489
bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
CID 139700863
2-methoxy-N,N,2-trimethylbutan-1-amine
CID 177005868
(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 168820801
N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane
CID 164917813
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
CID 106676156
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
CID 165442895
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945735
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of N-chloro-2-methoxy-N,2-dimethylpropan-1-amine (CID 152926276) is N-chloro-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-chloro-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-chloro-2-methoxy-N,2-dimethylpropan-1-amine is COC(C)(C)CN(C)Cl.
What is the InChIKey of N-chloro-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is UKBNEKDWDKPNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-6(2,9-4)5-8(3)7/h5H2,1-4H3.
What are the key properties of N-chloro-2-methoxy-N,2-dimethylpropan-1-amine?
N-chloro-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 151.64 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 152926276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).