(2-butoxyphenyl)methyliminotitanium

C11H15NOTi — CID 87197338

IUPAC(2-butoxyphenyl)methyliminotitanium
SMILESCCCCOc1ccccc1CN=[Ti]
InChIInChI=1S/C11H15NO.Ti/c1-2-3-8-13-11-7-5-4-6-10(11)9-12;/h4-7H,2-3,8-9H2,1H3;
InChIKeyPIQXQVXHEJFXEK-UHFFFAOYSA-N
MW225.11 g/mol
LogP3.10
Rot. Bonds6

About (2-butoxyphenyl)methyliminotitanium

(2-butoxyphenyl)methyliminotitanium (PubChem CID 87197338) has the molecular formula C11H15NOTi and a molecular weight of 225.11 g/mol. Its IUPAC name is (2-butoxyphenyl)methyliminotitanium.

Molecular Properties

Compound Name(2-butoxyphenyl)methyliminotitanium
PubChem CID87197338
Molecular FormulaC11H15NOTi
Molecular Weight225.11 g/mol
Exact Mass225.06
IUPAC Name(2-butoxyphenyl)methyliminotitanium
SMILESCCCCOc1ccccc1CN=[Ti]
InChIInChI=1S/C11H15NO.Ti/c1-2-3-8-13-11-7-5-4-6-10(11)9-12;/h4-7H,2-3,8-9H2,1H3;
InChIKeyPIQXQVXHEJFXEK-UHFFFAOYSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-butoxyphenyl)ethanamine;hydrochloride
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1-heptyl-2-octadecoxybenzene
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1-octadecoxy-2-tridecylbenzene
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1-butyl-2-nonoxybenzene
CID 118255282
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-(3-methylnonoxy)-2-(nitrosomethyl)benzene
CID 91105555

Frequently Asked Questions

What is the IUPAC name of (2-butoxyphenyl)methyliminotitanium?
The IUPAC name of (2-butoxyphenyl)methyliminotitanium (CID 87197338) is (2-butoxyphenyl)methyliminotitanium.
What is the SMILES notation for (2-butoxyphenyl)methyliminotitanium?
The canonical SMILES for (2-butoxyphenyl)methyliminotitanium is CCCCOc1ccccc1CN=[Ti].
What is the InChIKey of (2-butoxyphenyl)methyliminotitanium?
The InChIKey is PIQXQVXHEJFXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.Ti/c1-2-3-8-13-11-7-5-4-6-10(11)9-12;/h4-7H,2-3,8-9H2,1H3;.
What are the key properties of (2-butoxyphenyl)methyliminotitanium?
(2-butoxyphenyl)methyliminotitanium has a molecular weight of 225.11 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxyphenyl)methyliminotitanium is sourced from PubChem (CID 87197338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).