2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine

C8H16ClNO — CID 106439107

IUPAC2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC(C)=CCl
InChIInChI=1S/C8H16ClNO/c1-7(4-9)6-11-8(2)5-10-3/h4,8,10H,5-6H2,1-3H3
InChIKeyNQABPKBTCDCEPN-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.75
Rot. Bonds5

About 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine

2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine (PubChem CID 106439107) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine
PubChem CID106439107
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC(C)=CCl
InChIInChI=1S/C8H16ClNO/c1-7(4-9)6-11-8(2)5-10-3/h4,8,10H,5-6H2,1-3H3
InChIKeyNQABPKBTCDCEPN-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[1-(methylamino)propan-2-yloxy]acetate
CID 106939526
N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
CID 114470646
2-[1-(methylamino)propan-2-yloxy]-N-pentan-3-ylacetamide
CID 62335704
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
CID 94405357
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811
N-methyl-2-(2-propoxyethoxy)propan-1-amine
CID 63685331
3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
CID 106437994
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436816
4-chloro-3-methyl-N-propan-2-ylbut-3-en-1-amine
CID 106439917
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
N,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 103635829

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine (CID 106439107) is 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine is CNCC(C)OCC(C)=CCl.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine?
The InChIKey is NQABPKBTCDCEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(4-9)6-11-8(2)5-10-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine?
2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine has a molecular weight of 177.67 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 106439107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).