5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline

C14H24N2O — CID 82257616

IUPAC5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-4-9-17-14-6-5-12(10-13(14)15)7-8-16-11(2)3/h5-6,10-11,16H,4,7-9,15H2,1-3H3
InChIKeyPBUHIZWDOWCZBA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.60
Rot. Bonds7

About 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline

5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline (PubChem CID 82257616) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
PubChem CID82257616
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-4-9-17-14-6-5-12(10-13(14)15)7-8-16-11(2)3/h5-6,10-11,16H,4,7-9,15H2,1-3H3
InChIKeyPBUHIZWDOWCZBA-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
N-[3-(3-amino-4-propoxyphenyl)propyl]-1H-1,2,4-triazol-5-amine
CID 82153914
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892

Frequently Asked Questions

What is the IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline (CID 82257616) is 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNC(C)C)cc1N.
What is the InChIKey of 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline?
The InChIKey is PBUHIZWDOWCZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-9-17-14-6-5-12(10-13(14)15)7-8-16-11(2)3/h5-6,10-11,16H,4,7-9,15H2,1-3H3.
What are the key properties of 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline?
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline has a molecular weight of 236.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 82257616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).