3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine

C16H17BrN2 — CID 43634508

IUPAC3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCc2ccncc2)C1
InChIInChI=1S/C16H17BrN2/c17-16-4-2-1-3-15(16)13-9-14(10-13)19-11-12-5-7-18-8-6-12/h1-8,13-14,19H,9-11H2
InChIKeyCLQVDBLCTYUKHP-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.88
Rot. Bonds4

About 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine (PubChem CID 43634508) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
PubChem CID43634508
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCc2ccncc2)C1
InChIInChI=1S/C16H17BrN2/c17-16-4-2-1-3-15(16)13-9-14(10-13)19-11-12-5-7-18-8-6-12/h1-8,13-14,19H,9-11H2
InChIKeyCLQVDBLCTYUKHP-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 63478374
3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882732
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43633671
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
CID 113478701
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine (CID 43634508) is 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine is Brc1ccccc1C1CC(NCc2ccncc2)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is CLQVDBLCTYUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-16-4-2-1-3-15(16)13-9-14(10-13)19-11-12-5-7-18-8-6-12/h1-8,13-14,19H,9-11H2.
What are the key properties of 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 317.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).