N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline

C15H24N2O — CID 115213783

IUPACN-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
SMILESCOc1ccc(NCC2CC(N)C2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)14-8-13(4-5-15(14)18-3)17-9-11-6-12(16)7-11/h4-5,8,10-12,17H,6-7,9,16H2,1-3H3
InChIKeyDMWDTSJZAKYSDJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.97
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline

N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline (PubChem CID 115213783) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
PubChem CID115213783
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
SMILESCOc1ccc(NCC2CC(N)C2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)14-8-13(4-5-15(14)18-3)17-9-11-6-12(16)7-11/h4-5,8,10-12,17H,6-7,9,16H2,1-3H3
InChIKeyDMWDTSJZAKYSDJ-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
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

4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
2-(4-methoxy-3-propan-2-ylanilino)ethanethiol
CID 115223639
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
CID 115218860
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline (CID 115213783) is N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline is COc1ccc(NCC2CC(N)C2)cc1C(C)C.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline?
The InChIKey is DMWDTSJZAKYSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)14-8-13(4-5-15(14)18-3)17-9-11-6-12(16)7-11/h4-5,8,10-12,17H,6-7,9,16H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline?
N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline is sourced from PubChem (CID 115213783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).