N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline

C14H21NO2 — CID 104870363

IUPACN-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
SMILESCOC1CC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C14H21NO2/c1-10(2)17-13-6-4-11(5-7-13)15-12-8-14(9-12)16-3/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKeyCRAZRJUQLDPALG-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.06
Rot. Bonds5

About N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline

N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline (PubChem CID 104870363) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
PubChem CID104870363
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
SMILESCOC1CC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C14H21NO2/c1-10(2)17-13-6-4-11(5-7-13)15-12-8-14(9-12)16-3/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKeyCRAZRJUQLDPALG-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
2-[4-[(3-methoxycyclobutyl)amino]phenyl]acetonitrile
CID 104872170
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758678
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
N-methyl-4-propan-2-yloxyaniline
CID 18002910

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline (CID 104870363) is N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline is COC1CC(Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline?
The InChIKey is CRAZRJUQLDPALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-13-6-4-11(5-7-13)15-12-8-14(9-12)16-3/h4-7,10,12,14-15H,8-9H2,1-3H3.
What are the key properties of N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline?
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 104870363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).