3-(3-chlorophenoxy)propan-1-amine;ethane

C11H18ClNO — CID 156874591

IUPAC3-(3-chlorophenoxy)propan-1-amine;ethane
SMILESCC.NCCCOc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO.C2H6/c10-8-3-1-4-9(7-8)12-6-2-5-11;1-2/h1,3-4,7H,2,5-6,11H2;1-2H3
InChIKeyWOYAIJHLLWKEIC-UHFFFAOYSA-N
MW215.72 g/mol
LogP3.09
Rot. Bonds4

About 3-(3-chlorophenoxy)propan-1-amine;ethane

3-(3-chlorophenoxy)propan-1-amine;ethane (PubChem CID 156874591) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)propan-1-amine;ethane.

Molecular Properties

Compound Name3-(3-chlorophenoxy)propan-1-amine;ethane
PubChem CID156874591
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name3-(3-chlorophenoxy)propan-1-amine;ethane
SMILESCC.NCCCOc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO.C2H6/c10-8-3-1-4-9(7-8)12-6-2-5-11;1-2/h1,3-4,7H,2,5-6,11H2;1-2H3
InChIKeyWOYAIJHLLWKEIC-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
5-(3-chlorophenoxy)pentan-2-one
CID 62030286

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)propan-1-amine;ethane?
The IUPAC name of 3-(3-chlorophenoxy)propan-1-amine;ethane (CID 156874591) is 3-(3-chlorophenoxy)propan-1-amine;ethane.
What is the SMILES notation for 3-(3-chlorophenoxy)propan-1-amine;ethane?
The canonical SMILES for 3-(3-chlorophenoxy)propan-1-amine;ethane is CC.NCCCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)propan-1-amine;ethane?
The InChIKey is WOYAIJHLLWKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.C2H6/c10-8-3-1-4-9(7-8)12-6-2-5-11;1-2/h1,3-4,7H,2,5-6,11H2;1-2H3.
What are the key properties of 3-(3-chlorophenoxy)propan-1-amine;ethane?
3-(3-chlorophenoxy)propan-1-amine;ethane has a molecular weight of 215.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)propan-1-amine;ethane is sourced from PubChem (CID 156874591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).