2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine

C16H28N2O2 — CID 70601894

IUPAC2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine
SMILESCCCOC(N)Cc1cccc(CC(N)OCCC)c1
InChIInChI=1S/C16H28N2O2/c1-3-8-19-15(17)11-13-6-5-7-14(10-13)12-16(18)20-9-4-2/h5-7,10,15-16H,3-4,8-9,11-12,17-18H2,1-2H3
InChIKeyQGQKJSJKGWTYLF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.19
Rot. Bonds10

About 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine

2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine (PubChem CID 70601894) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine.

Molecular Properties

Compound Name2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine
PubChem CID70601894
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine
SMILESCCCOC(N)Cc1cccc(CC(N)OCCC)c1
InChIInChI=1S/C16H28N2O2/c1-3-8-19-15(17)11-13-6-5-7-14(10-13)12-16(18)20-9-4-2/h5-7,10,15-16H,3-4,8-9,11-12,17-18H2,1-2H3
InChIKeyQGQKJSJKGWTYLF-UHFFFAOYSA-N
XLogP2.19
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2R)-1-(3-butoxyphenyl)propan-2-amine
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3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
(1S,2S)-1-amino-3-[3-[(2R,3S)-3-amino-3-hydroxy-2-methylpropyl]phenyl]-2-methylpropan-1-ol
CID 124639737
2-(dipropoxymethyl)furan
CID 14296431
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine?
The IUPAC name of 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine (CID 70601894) is 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine.
What is the SMILES notation for 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine?
The canonical SMILES for 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine is CCCOC(N)Cc1cccc(CC(N)OCCC)c1.
What is the InChIKey of 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine?
The InChIKey is QGQKJSJKGWTYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-8-19-15(17)11-13-6-5-7-14(10-13)12-16(18)20-9-4-2/h5-7,10,15-16H,3-4,8-9,11-12,17-18H2,1-2H3.
What are the key properties of 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine?
2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine is sourced from PubChem (CID 70601894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).