N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline

C13H18FNO — CID 115885041

IUPACN-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(F)cc1NC1CCC1
InChIInChI=1S/C13H18FNO/c1-9(2)16-13-7-6-10(14)8-12(13)15-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3
InChIKeyRBHXZKZPKKBSRI-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.58
Rot. Bonds4

About N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline

N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline (PubChem CID 115885041) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
PubChem CID115885041
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(F)cc1NC1CCC1
InChIInChI=1S/C13H18FNO/c1-9(2)16-13-7-6-10(14)8-12(13)15-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3
InChIKeyRBHXZKZPKKBSRI-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
2-(cyclopropylmethylamino)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 119770220
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline?
The IUPAC name of N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline (CID 115885041) is N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline.
What is the SMILES notation for N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline?
The canonical SMILES for N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline is CC(C)Oc1ccc(F)cc1NC1CCC1.
What is the InChIKey of N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline?
The InChIKey is RBHXZKZPKKBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)16-13-7-6-10(14)8-12(13)15-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3.
What are the key properties of N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline?
N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline has a molecular weight of 223.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline is sourced from PubChem (CID 115885041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).