3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine

C15H26N2O2 — CID 80739389

IUPAC3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCCCOCCNc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-4-5-7-18-8-6-17-14-9-13(16)10-15(11-14)19-12(2)3/h9-12,17H,4-8,16H2,1-3H3
InChIKeyOXCAWZVNUFWLDV-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.28
Rot. Bonds9

About 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80739389) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80739389
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCCCOCCNc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-4-5-7-18-8-6-17-14-9-13(16)10-15(11-14)19-12(2)3/h9-12,17H,4-8,16H2,1-3H3
InChIKeyOXCAWZVNUFWLDV-UHFFFAOYSA-N
XLogP3.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
3-N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80734583

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80739389) is 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine is CCCCOCCNc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is OXCAWZVNUFWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-7-18-8-6-17-14-9-13(16)10-15(11-14)19-12(2)3/h9-12,17H,4-8,16H2,1-3H3.
What are the key properties of 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80739389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).