3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine

C8H16ClNO — CID 106437299

IUPAC3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
SMILESCOCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClNO/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3
InChIKeyBWGCVIWWCWFHPV-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.75
Rot. Bonds5

About 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine

3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 106437299) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
PubChem CID106437299
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
SMILESCOCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClNO/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3
InChIKeyBWGCVIWWCWFHPV-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

N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
N-(2-chloroprop-2-enyl)-1-ethoxypropan-2-amine
CID 61848119
N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 62331544
N-(2-chloroprop-2-enyl)-1-methoxybutan-2-amine
CID 64410097
1-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64411750
N-(2-chloroprop-2-enyl)-1-methoxy-3-methylbutan-2-amine
CID 65048721
N-(2,3-dichloroprop-2-enyl)-1-methoxy-3-methylbutan-2-amine
CID 79167369
N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine
CID 79167462
N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine
CID 79167556
2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine
CID 79167811
2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine
CID 79168116
N-[(E)-4-chlorobut-2-enyl]-1-methoxy-3-methylbutan-2-amine
CID 81429422

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine (CID 106437299) is 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine is COCC(C)NCC(C)=CCl.
What is the InChIKey of 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is BWGCVIWWCWFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine?
3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-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 3-chloro-N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).