N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline

C19H22BrN — CID 43633251

IUPACN-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC2CC(c3ccccc3Br)C2)cc1
InChIInChI=1S/C19H22BrN/c1-13(2)14-7-9-16(10-8-14)21-17-11-15(12-17)18-5-3-4-6-19(18)20/h3-10,13,15,17,21H,11-12H2,1-2H3
InChIKeyPIQZWZUKOBBKGP-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.93
Rot. Bonds4

About N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline

N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline (PubChem CID 43633251) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
PubChem CID43633251
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC2CC(c3ccccc3Br)C2)cc1
InChIInChI=1S/C19H22BrN/c1-13(2)14-7-9-16(10-8-14)21-17-11-15(12-17)18-5-3-4-6-19(18)20/h3-10,13,15,17,21H,11-12H2,1-2H3
InChIKeyPIQZWZUKOBBKGP-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
CID 43634745
N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
CID 43635550
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687891
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline (CID 43633251) is N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline is CC(C)c1ccc(NC2CC(c3ccccc3Br)C2)cc1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline?
The InChIKey is PIQZWZUKOBBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13(2)14-7-9-16(10-8-14)21-17-11-15(12-17)18-5-3-4-6-19(18)20/h3-10,13,15,17,21H,11-12H2,1-2H3.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline?
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline has a molecular weight of 344.30 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43633251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).