2-butoxy-1-chloroethanamine

C6H14ClNO — CID 174226155

IUPAC2-butoxy-1-chloroethanamine
SMILESCCCCOCC(N)Cl
InChIInChI=1S/C6H14ClNO/c1-2-3-4-9-5-6(7)8/h6H,2-5,8H2,1H3
InChIKeyGDCFELCYCICCCE-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.33
Rot. Bonds5

About 2-butoxy-1-chloroethanamine

2-butoxy-1-chloroethanamine (PubChem CID 174226155) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-butoxy-1-chloroethanamine.

Molecular Properties

Compound Name2-butoxy-1-chloroethanamine
PubChem CID174226155
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-butoxy-1-chloroethanamine
SMILESCCCCOCC(N)Cl
InChIInChI=1S/C6H14ClNO/c1-2-3-4-9-5-6(7)8/h6H,2-5,8H2,1H3
InChIKeyGDCFELCYCICCCE-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
3-butoxy-2-chloropropanamide
CID 20565963
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
1,3-dibutoxypropan-2-ylhydrazine
CID 89380830
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-chloropropanenitrile
CID 104561736
(2S)-1-butoxypropan-2-ol
CID 54289557
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-chloroethanamine?
The IUPAC name of 2-butoxy-1-chloroethanamine (CID 174226155) is 2-butoxy-1-chloroethanamine.
What is the SMILES notation for 2-butoxy-1-chloroethanamine?
The canonical SMILES for 2-butoxy-1-chloroethanamine is CCCCOCC(N)Cl.
What is the InChIKey of 2-butoxy-1-chloroethanamine?
The InChIKey is GDCFELCYCICCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-2-3-4-9-5-6(7)8/h6H,2-5,8H2,1H3.
What are the key properties of 2-butoxy-1-chloroethanamine?
2-butoxy-1-chloroethanamine has a molecular weight of 151.64 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-chloroethanamine is sourced from PubChem (CID 174226155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).