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

C14H21NO — CID 104860033

IUPACN-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
SMILESCC1CC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C14H21NO/c1-10(2)16-14-6-4-12(5-7-14)15-13-8-11(3)9-13/h4-7,10-11,13,15H,8-9H2,1-3H3
InChIKeyVNDXOVPCMQLNBY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.68
Rot. Bonds4

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

N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline (PubChem CID 104860033) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
PubChem CID104860033
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
SMILESCC1CC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C14H21NO/c1-10(2)16-14-6-4-12(5-7-14)15-13-8-11(3)9-13/h4-7,10-11,13,15H,8-9H2,1-3H3
InChIKeyVNDXOVPCMQLNBY-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline (CID 104860033) is N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline is CC1CC(Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline?
The InChIKey is VNDXOVPCMQLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)16-14-6-4-12(5-7-14)15-13-8-11(3)9-13/h4-7,10-11,13,15H,8-9H2,1-3H3.
What are the key properties of N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline?
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 104860033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).