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

C16H17BrN2 — CID 43634519

IUPAC3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESBrc1ccc(C2CC(NCc3cccnc3)C2)cc1
InChIInChI=1S/C16H17BrN2/c17-15-5-3-13(4-6-15)14-8-16(9-14)19-11-12-2-1-7-18-10-12/h1-7,10,14,16,19H,8-9,11H2
InChIKeyMLWZRTNWTVSDMV-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.88
Rot. Bonds4

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

3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine (PubChem CID 43634519) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
PubChem CID43634519
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESBrc1ccc(C2CC(NCc3cccnc3)C2)cc1
InChIInChI=1S/C16H17BrN2/c17-15-5-3-13(4-6-15)14-8-16(9-14)19-11-12-2-1-7-18-10-12/h1-7,10,14,16,19H,8-9,11H2
InChIKeyMLWZRTNWTVSDMV-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

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 79941881
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine (CID 43634519) is 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine is Brc1ccc(C2CC(NCc3cccnc3)C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is MLWZRTNWTVSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-15-5-3-13(4-6-15)14-8-16(9-14)19-11-12-2-1-7-18-10-12/h1-7,10,14,16,19H,8-9,11H2.
What are the key properties of 3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(pyridin-3-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-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).