4-(5-aminopentoxy)-2-methylaniline

C12H20N2O — CID 164576762

IUPAC4-(5-aminopentoxy)-2-methylaniline
SMILESCc1cc(OCCCCCN)ccc1N
InChIInChI=1S/C12H20N2O/c1-10-9-11(5-6-12(10)14)15-8-4-2-3-7-13/h5-6,9H,2-4,7-8,13-14H2,1H3
InChIKeyHNZWZKUPFDKXQP-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.09
Rot. Bonds6

About 4-(5-aminopentoxy)-2-methylaniline

4-(5-aminopentoxy)-2-methylaniline (PubChem CID 164576762) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(5-aminopentoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(5-aminopentoxy)-2-methylaniline
PubChem CID164576762
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(5-aminopentoxy)-2-methylaniline
SMILESCc1cc(OCCCCCN)ccc1N
InChIInChI=1S/C12H20N2O/c1-10-9-11(5-6-12(10)14)15-8-4-2-3-7-13/h5-6,9H,2-4,7-8,13-14H2,1H3
InChIKeyHNZWZKUPFDKXQP-UHFFFAOYSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-methyl-4-nonoxyaniline
CID 43128997
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentoxy)-2-methylaniline?
The IUPAC name of 4-(5-aminopentoxy)-2-methylaniline (CID 164576762) is 4-(5-aminopentoxy)-2-methylaniline.
What is the SMILES notation for 4-(5-aminopentoxy)-2-methylaniline?
The canonical SMILES for 4-(5-aminopentoxy)-2-methylaniline is Cc1cc(OCCCCCN)ccc1N.
What is the InChIKey of 4-(5-aminopentoxy)-2-methylaniline?
The InChIKey is HNZWZKUPFDKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-9-11(5-6-12(10)14)15-8-4-2-3-7-13/h5-6,9H,2-4,7-8,13-14H2,1H3.
What are the key properties of 4-(5-aminopentoxy)-2-methylaniline?
4-(5-aminopentoxy)-2-methylaniline has a molecular weight of 208.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentoxy)-2-methylaniline is sourced from PubChem (CID 164576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).