N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine

C18H20BrN — CID 63454059

IUPACN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccccc3Br)C2)cc1
InChIInChI=1S/C18H20BrN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3
InChIKeyUEIZHZGKWHVMKN-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.79
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine

N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 63454059) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID63454059
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC NameN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccccc3Br)C2)cc1
InChIInChI=1S/C18H20BrN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3
InChIKeyUEIZHZGKWHVMKN-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
CID 79462657
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
2,6-dibromo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 63425239
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (CID 63454059) is N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ccccc3Br)C2)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is UEIZHZGKWHVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 63454059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).