anilino(butoxy)methanol

C11H17NO2 — CID 177495288

IUPACanilino(butoxy)methanol
SMILESCCCCOC(O)Nc1ccccc1
InChIInChI=1S/C11H17NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8,11-13H,2-3,9H2,1H3
InChIKeyBDMLDHKBYZQFSJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.19
Rot. Bonds6

About anilino(butoxy)methanol

anilino(butoxy)methanol (PubChem CID 177495288) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is anilino(butoxy)methanol.

Molecular Properties

Compound Nameanilino(butoxy)methanol
PubChem CID177495288
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameanilino(butoxy)methanol
SMILESCCCCOC(O)Nc1ccccc1
InChIInChI=1S/C11H17NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8,11-13H,2-3,9H2,1H3
InChIKeyBDMLDHKBYZQFSJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octan-4-ylaniline
CID 12779854
N-tridecan-6-ylaniline
CID 151143089
1-anilinohexadecan-1-ol
CID 173133122
N-(1-propoxyethyl)aniline
CID 173276827
(2S)-2-anilinooctan-1-ol
CID 135056963
N-undecan-3-ylaniline
CID 171755615
1-butoxyethane-1,2-diol;toluene
CID 174916638
2-butoxy-N-phenyldodecanamide
CID 70626065
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
butyl N-anilinocarbamate
CID 57279128
nonoxy(phenyl)methanol
CID 70405769
octadecoxy(phenyl)methanol
CID 141167921

Frequently Asked Questions

What is the IUPAC name of anilino(butoxy)methanol?
The IUPAC name of anilino(butoxy)methanol (CID 177495288) is anilino(butoxy)methanol.
What is the SMILES notation for anilino(butoxy)methanol?
The canonical SMILES for anilino(butoxy)methanol is CCCCOC(O)Nc1ccccc1.
What is the InChIKey of anilino(butoxy)methanol?
The InChIKey is BDMLDHKBYZQFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8,11-13H,2-3,9H2,1H3.
What are the key properties of anilino(butoxy)methanol?
anilino(butoxy)methanol has a molecular weight of 195.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino(butoxy)methanol is sourced from PubChem (CID 177495288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).