N-(3-methoxycyclobutyl)-3-propan-2-ylaniline

C14H21NO — CID 104870345

IUPACN-(3-methoxycyclobutyl)-3-propan-2-ylaniline
SMILESCOC1CC(Nc2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H21NO/c1-10(2)11-5-4-6-12(7-11)15-13-8-14(9-13)16-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyDLDLSSVIHNGBBV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.40
Rot. Bonds4

About N-(3-methoxycyclobutyl)-3-propan-2-ylaniline

N-(3-methoxycyclobutyl)-3-propan-2-ylaniline (PubChem CID 104870345) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-3-propan-2-ylaniline
PubChem CID104870345
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3-methoxycyclobutyl)-3-propan-2-ylaniline
SMILESCOC1CC(Nc2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H21NO/c1-10(2)11-5-4-6-12(7-11)15-13-8-14(9-13)16-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyDLDLSSVIHNGBBV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methoxycyclobutyl)-3-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
CID 63421494
4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-3-propan-2-ylaniline?
The IUPAC name of N-(3-methoxycyclobutyl)-3-propan-2-ylaniline (CID 104870345) is N-(3-methoxycyclobutyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-3-propan-2-ylaniline is COC1CC(Nc2cccc(C(C)C)c2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-3-propan-2-ylaniline?
The InChIKey is DLDLSSVIHNGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)11-5-4-6-12(7-11)15-13-8-14(9-13)16-3/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of N-(3-methoxycyclobutyl)-3-propan-2-ylaniline?
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-3-propan-2-ylaniline is sourced from PubChem (CID 104870345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).