N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline

C18H22N2 — CID 115213933

IUPACN-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
SMILESCN(CC1CC(N)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-20(13-14-11-17(19)12-14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3
InChIKeyZJJIDBCBJFSXBU-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.53
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline

N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline (PubChem CID 115213933) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
PubChem CID115213933
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
SMILESCN(CC1CC(N)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-20(13-14-11-17(19)12-14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3
InChIKeyZJJIDBCBJFSXBU-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
N-[(3-aminocyclopentyl)methyl]-N-methylaniline
CID 66008204
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N-[[3,5-bis[(N-methylanilino)methyl]cyclohexyl]methyl]-N-phenylhydroxylamine;ethane
CID 143692856
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-methyl-N-(oxetan-3-ylmethyl)aniline
CID 130694307
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline (CID 115213933) is N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline is CN(CC1CC(N)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline?
The InChIKey is ZJJIDBCBJFSXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(13-14-11-17(19)12-14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline?
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline has a molecular weight of 266.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline is sourced from PubChem (CID 115213933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).