2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol

C7H14ClNO — CID 106437749

IUPAC2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
SMILESCC(=CCl)CNC(C)CO
InChIInChI=1S/C7H14ClNO/c1-6(3-8)4-9-7(2)5-10/h3,7,9-10H,4-5H2,1-2H3
InChIKeySSQWBYQYPGHAPE-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds4

About 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol

2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol (PubChem CID 106437749) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
PubChem CID106437749
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
SMILESCC(=CCl)CNC(C)CO
InChIInChI=1S/C7H14ClNO/c1-6(3-8)4-9-7(2)5-10/h3,7,9-10H,4-5H2,1-2H3
InChIKeySSQWBYQYPGHAPE-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
CID 106438226
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
4-[(3-chloro-2-methylprop-2-enyl)amino]pentan-1-ol
CID 106437903
2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide
CID 106437577
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
CID 106438046
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutanoic acid
CID 106439197
(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437925
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 106438115
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol (CID 106437749) is 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol is CC(=CCl)CNC(C)CO.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The InChIKey is SSQWBYQYPGHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-6(3-8)4-9-7(2)5-10/h3,7,9-10H,4-5H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol has a molecular weight of 163.65 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 106437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).